Crystal quality estimation program, crystal quality estimation method, and recording medium

Abstract

To provide a crystal quality estimation program for estimating crystal quality, a crystal quality estimation method, and a recording medium.SOLUTION: A crystal quality estimation program causes a computer to function as: a measurement sample optical polarization peak intensity acquisition unit; a measurement sample optical polarization angle dependent profile acquisition unit; an optical polarization profile matching-degree calculation unit; an optical polarization profile matching-degree comparison unit; a measurement sample optical polarization peak half-width acquisition unit; a measurement sample optical polarization peak half-width average-value calculation unit; an optical polarization peak half-width matching-degree calculation unit; an optical polarization peak half-width comparison unit; a measurement sample optical polarization peak wavenumber acquisition unit; a measurement sample optical polarization peak wavenumber average-value calculation unit; an optical polarization peak wavenumber matching-degree calculation unit; an optical polarization peak wavenumber comparison unit; and an optical polarization crystal quality estimation unit.SELECTED DRAWING: Figure 4

Description

Technical Field

[0001] The present invention relates to a crystal quality estimation program for estimating the quality of a crystal, a crystal quality estimation method, and a recording medium.

Background Art

[0002] Conventionally, silicon has been used as the material of substrates such as semiconductors. In recent years, sapphire, GaN, SiC, and diamond have attracted attention instead of silicon. These materials have attracted particular attention in recent years because they have a wider bandgap, excellent dielectric breakdown voltage, and high thermal conductivity compared to silicon. Recently, it has become possible to manufacture a diamond substrate of □10 mm by heteroepitaxial growth of diamond by the CVD (chemical vapor deposition) method, and diamond is attracting attention for practical use in addition to GaN and SiC.

[0003] For example, the crystal quality of CVD single-crystal diamond is superior to that of diamond grown by the HPHT (High Pressure and High Temperature) method, and the quality is further improved by improving the surface processing accuracy of the diamond substrate. Thus, the quality of the substrate varies greatly depending on the manufacturing method and processing technology. Examples of the quality of the substrate include less residual stress in the substrate and fewer defects.

[0004] Thus, in order to cope with the miniaturization and high performance of semiconductor elements in recent years, the quality of the substrate needs to be evaluated more accurately. As a method for estimating the quality of the substrate, for example, Patent Document 1 discloses that the stress distribution is evaluated by a two-dimensional surface distribution based on the Raman shift amount distribution on the surface of a single-crystal thin film of diamond. Further, the same document discloses that the full width at half maximum of the Raman peak is a numerical value reflecting the crystallinity, and the smaller the full width at half maximum, the better the quality of the crystal.

Prior Art Documents

Patent Documents

[0005]

Patent Document 1

Non-Patent Document

[0006]

Non-Patent Document 1

Non-Patent Document 2

Summary of the Invention

Problems to be Solved by the Invention

[0007] However, in the invention described in Patent Document 1, the quality of the substrate is estimated by the Raman shift amount and the full width at half maximum in any direction regardless of the plane direction. Paragraphs 0024 to 0026 of Patent Document 1 disclose that a diamond single crystal substrate is grown by etching the surface so that the plane orientation of a seed substrate becomes the {110} plane and performing homoepitaxial growth by CVD.

[0008] However, in paragraph 0027 of Patent Document 1, only surface analysis of the epitaxially grown layer is performed, and when the crystal orientation of the substrate is unknown, it is unclear which direction the surface analysis result is in. Further, even if the crystal orientation of the seed substrate is known, the grown layer is not necessarily in the same orientation.

[0009] Also, when processing GaN, SiC, and diamond, which are harder than silicon, even if processed in the same manner as silicon processing, an enormous processing time and large stress are applied to the substrate. For this reason, the crystal quality of the seed substrate deteriorates, and the quality of the grown layer also deteriorates. In order to suppress the deterioration of the seed substrate, processing in the easy processing direction of each material can be mentioned.

[0010] For example, in the case of sapphire, the c-plane is easier to process than the a-plane. Even for materials such as diamond, as described in Non-Patent Document 1, there is an easy processing direction depending on the crystal plane. And if grinding and polishing can be performed in the easy processing direction of each material, the processing time and the stress during processing can be reduced, and the crystal quality can also be improved.

[0011] Thus, it is presumed that a substrate obtained by epitaxial growth using a seed substrate processed in the easy processing direction is excellent in crystal quality. However, as described above, the substrate obtained by epitaxial growth does not necessarily grow in the same plane orientation as the seed substrate uniformly. For this reason, even if the crystal quality of the seed substrate is improved as described above, accurately evaluating the crystal quality of the epitaxially grown layer will greatly contribute to the future development of the semiconductor field.

[0012] Therefore, an object of the present invention is to provide a crystal quality estimation program for estimating crystal quality, a crystal quality estimation method, and a recording medium.

Means for Solving the Problems

[0013] Conventionally, in Raman spectroscopy, a measurement sample was simply placed on a sample stage, and a Raman laser was irradiated under predetermined conditions to obtain a Raman spectrum. However, the Raman spectrum changes depending on the angle of the measurement sample. Also, the Raman spectrum changes depending on the polarization angle of the Raman laser. Due to these different conditions, the full width at half maximum of the Raman peak also differs. For this reason, even with the same measurement sample, various results are obtained, and a result that reflects the state of the measurement sample cannot be obtained. Furthermore, even when trying to obtain information about each layer of a laminate, scattered light must be excluded from regions that are out of focus, and evaluation must be performed using the excluded Raman spectrum, making it difficult to evaluate using the original Raman spectrum.

[0014] In view of these, the inventors compared the information obtained from the Raman spectrum of the measurement sample with the information obtained from the Raman spectrum of a standard sample based on the information in the obtained plane direction, and came to the idea of more accurately estimating the quality of the substrate from these differences. More specifically, the inventors thought that if they evaluated the Raman shift amount, which is the difference in peak wave number, the difference in peak intensity, and the difference in the full width at half maximum of the peak derived from that plane direction, they could accurately estimate the quality of the substrate based on the Raman spectrum peculiar to the plane direction.

[0015] Based on these ideas, the inventors thought that they could evaluate the quality of a substrate processed from the deviation from a standard sample. To achieve this, by rotating the measurement sample and adjusting the polarization angle of the Raman laser, in a measurement sample having a predetermined crystal plane, while adjusting the polarization angle, measure the profile of the peak intensity of the Raman shift and compare it with the profile of the standard sample. As a result, since the dependence of the polarization angle of the measurement sample can be evaluated, it is possible to avoid evaluation limited to a specific polarization angle, and thus, knowledge that enables more accurate estimation of crystal quality was obtained.

[0016] In addition to the above comparison, the present inventors also came to the idea that in order to use the defect and stress states of the measurement sample for estimating the crystal quality, by evaluating the deviation between the average value of the peak half-width and the peak half-width of the standard sample, and the deviation between the average value of the peak wave number and the peak wave number of the standard sample, the crystal quality can be estimated with higher accuracy.

[0017] Then, the deviation from these standard samples is calculated as a degree of coincidence, and when this degree of coincidence exceeds a predetermined threshold value, the stress in a predetermined crystal orientation can be estimated. For example, when the stress in a predetermined crystal orientation is small and the degree of coincidence with the standard sample is high, it can be estimated that, for example, the processed measurement sample is processed along the easy processing direction, and thus, the measurement sample can be estimated to be of high quality.

[0018] Furthermore, even when diamond or the like is grown on a seed substrate, if the focus of the Raman laser is adjusted to each of the seed substrate and the diamond, information on each layer can be obtained. For this reason, findings have been obtained that, after accurately grasping the plane directions of the seed substrate and the epitaxial layer, the polarization angle dependence of the peak intensity and further the rotation angle dependence of the measurement sample can also be considered. Based on these findings, the present invention has been completed. The present invention obtained based on these findings is as follows.

[0019] (1) A crystal quality estimation program for estimating the crystal quality of a measurement sample having a predetermined crystal plane using Raman spectroscopy, comprising: a computer, a polarization peak intensity acquisition unit that acquires a polarization peak intensity from a polarization Raman spectrum obtained by irradiating a measurement sample with a polarization Raman laser that is an incident laser adjusted to a predetermined polarization angle from 0° to 360°; a polarization angle dependence profile acquisition unit that plots the polarization peak intensity acquired by the polarization peak intensity acquisition unit for each polarization angle and acquires a polarization angle dependence profile; A polarization profile matching degree calculation unit that calculates the polarization profile matching degree between the polarization angle-dependent profile obtained by the polarization angle-dependent profile acquisition unit and the polarization angle-dependent profile in the standard sample of the measurement sample, A polarization profile matching degree comparison unit that compares the polarization profile matching degree calculated by the polarization profile matching degree calculation unit with a predetermined threshold value, A polarization peak full width at half maximum acquisition unit that acquires the polarization peak full width at half maximum from the polarization Raman spectrum, A polarization peak full width at half maximum average value calculation unit that calculates the average value of the polarization peak full width at half maximum obtained by the polarization peak full width at half maximum acquisition unit, A polarization peak full width at half maximum matching degree calculation unit that calculates the polarization peak full width at half maximum matching degree between the average value of the polarization peak full width at half maximum calculated by the polarization peak full width at half maximum average value calculation unit and the average value of the polarization peak full width at half maximum in the standard sample of the measurement sample, A polarization peak full width at half maximum comparison unit that compares the polarization peak full width at half maximum matching degree calculated by the polarization peak full width at half maximum matching degree calculation unit with a predetermined threshold value, A polarization peak wavenumber acquisition unit that acquires the polarization peak wavenumber from the polarization Raman spectrum, A polarization peak wavenumber average value calculation unit that calculates the average value of the polarization peak wavenumber obtained by the polarization peak wavenumber acquisition unit, A polarization peak wavenumber matching degree calculation unit that calculates the polarization peak wavenumber matching degree between the average value of the polarization peak wavenumber calculated by the polarization peak wavenumber average value calculation unit and the average value of the polarization peak wavenumber in the standard sample of the measurement sample, A polarization peak wavenumber comparison unit that compares the polarization peak wavenumber matching degree calculated by the polarization peak wavenumber matching degree calculation unit with a predetermined threshold value, A polarization crystal quality estimation unit that estimates the crystal quality of the measurement sample by determining whether all of the comparison results in the polarization profile matching degree comparison unit, the comparison results in the polarization peak full width at half maximum comparison unit, and the comparison results in the polarization peak wavenumber comparison unit are each a matching degree equal to or greater than a predetermined threshold value A crystal quality estimation program characterized by causing it to function as

[0020] (2) The computer is further A polarization angle reading unit that reads the initial polarization angle of the Raman laser, A polarized Raman laser irradiation unit that irradiates a measurement sample with a polarized Raman laser that is an incident laser having the initial polarization angle read by the polarization angle reading unit, A polarized Raman spectrum storage unit that stores the polarized Raman spectrum obtained by irradiating the polarized Raman laser by the polarized Raman laser irradiation unit, After the polarized Raman spectrum is stored by the polarized Raman spectrum storage unit, a polarization angle addition unit that adds a predetermined angle to the polarization angle of the polarized Raman laser irradiated to the measurement sample, A polarization angle determination unit that determines whether the polarization angle added by the polarization angle addition unit is less than 360°, The crystal quality estimation program according to (1) above, which functions as such.

[0021] (3) When the crystal quality is estimated to be excellent by the polarized crystal quality estimation unit, The computer is further configured to From the rotational Raman spectrum obtained by irradiating a measurement sample rotated to a predetermined rotation angle from 0 to 360° with a rotational Raman laser that is an incident laser with a fixed polarization angle, a rotational peak intensity acquisition unit that acquires the rotational peak intensity, A rotational angle-dependent profile acquisition unit that plots the rotational peak intensity acquired by the rotational peak intensity acquisition unit for each rotational angle and acquires a rotational angle-dependent profile, A rotational profile matching degree calculation unit that calculates the rotational profile matching degree between the rotational angle-dependent profile acquired by the rotational angle-dependent profile acquisition unit and the rotational angle-dependent profile of the standard sample of the measurement sample, A rotational profile matching degree comparison unit that compares the rotational profile matching degree calculated by the rotational profile matching degree calculation unit with a predetermined threshold value, A rotational peak half-width acquisition unit that acquires the rotational peak half-width from the rotational Raman spectrum, A rotational peak half-width average value calculation unit that calculates the average value of the rotational peak half-widths acquired by the rotational peak half-width acquisition unit, A rotational peak full width at half maximum (FWHM) consistency calculation unit that calculates the rotational peak FWHM consistency between the average value of the rotational peak FWHM calculated by the rotational peak FWHM average value calculation unit and the average value of the rotational peak FWHM in the standard sample of the measurement sample, A rotational peak FWHM comparison unit that compares the rotational peak FWHM consistency calculated by the rotational peak FWHM consistency calculation unit with a predetermined threshold, A rotational peak wave number acquisition unit that acquires the rotational peak wave number from the rotational Raman spectrum, A rotational peak wave number average value calculation unit that calculates the average value of the rotational peak wave numbers acquired by the rotational peak wave number acquisition unit, A rotational peak wave number consistency calculation unit that calculates the rotational peak wave number consistency between the average value of the rotational peak wave numbers calculated by the rotational peak wave number average value calculation unit and the average value of the rotational peak wave numbers in the standard sample of the measurement sample, A rotational peak wave number comparison unit that compares the rotational peak wave number consistency calculated by the rotational peak wave number consistency calculation unit with a predetermined threshold, A rotational crystal quality estimation unit that estimates the crystal quality of the measurement sample by determining whether all of the comparison results in the rotational profile consistency comparison unit, the comparison results in the rotational peak FWHM comparison unit, and the comparison results in the rotational peak wave number comparison unit are each at least the predetermined threshold consistency, The crystal quality estimation program according to (1) or (2) above, which functions as such.

[0022] (4) Further cause the computer to A rotational angle reading unit that reads the initial rotational angle of the Raman laser, A rotational Raman laser irradiation unit that irradiates the measurement sample with a rotational Raman laser that is an incident laser having the initial rotational angle read by the rotational angle reading unit, A rotational Raman spectrum storage unit that stores the rotational Raman spectrum obtained by the irradiation of the rotational Raman laser by the rotational Raman laser irradiation unit, After the rotational Raman spectrum is stored by the rotational Raman spectrum storage unit, a rotational angle addition unit that adds a predetermined angle to the rotational angle of the rotational Raman laser irradiated to the measurement sample, A rotation angle determination unit that determines whether the rotation angle added by the rotation angle addition unit is less than 360° The crystal quality estimation program according to (3) above, which functions as

[0023] (5) A crystal quality estimation program for estimating the crystal quality of diamond formed on a seed substrate having a predetermined crystal plane using Raman spectroscopy, Causing a computer to From the diamond polarization Raman spectrum obtained by irradiating diamond with a diamond polarization Raman laser, which is an incident laser whose focus is adjusted to the diamond and whose polarization angle is adjusted to a predetermined polarization angle from 0 to 360°, a diamond polarization peak intensity acquisition unit that acquires the diamond polarization peak intensity; A diamond polarization angle-dependent profile acquisition unit that plots the diamond polarization peak intensity acquired by the diamond polarization peak intensity acquisition unit for each polarization angle and acquires a diamond polarization angle-dependent profile; From each seed substrate polarization Raman spectrum obtained by irradiating the seed substrate with a seed substrate polarization Raman laser, which is an incident laser whose focus is adjusted to the seed substrate and whose polarization angle is adjusted to a predetermined polarization angle from 0 to 360°, a seed substrate polarization peak intensity acquisition unit that acquires the seed substrate polarization peak intensity; A seed substrate polarization angle-dependent profile acquisition unit that plots the seed substrate polarization peak intensity acquired by the seed substrate polarization peak intensity acquisition unit for each polarization angle and acquires a seed substrate polarization angle-dependent profile; A substrate polarization profile consistency calculation unit that calculates the substrate rotation profile consistency between the diamond polarization angle-dependent profile and the seed substrate polarization angle-dependent profile; A substrate polarization profile consistency comparison unit that compares the substrate rotation profile consistency calculated by the substrate polarization profile consistency calculation unit with a predetermined threshold; A diamond polarization crystal quality estimation unit that estimates the crystal quality of diamond by determining whether the comparison result in the substrate polarization profile consistency comparison unit is a consistency equal to or higher than a predetermined threshold A crystal quality estimation program characterized by causing [a computer] to function as follows.

[0024] (6) When the diamond polarization crystal quality estimation unit estimates that the crystal quality is excellent, further cause the computer to acquire a diamond rotation peak intensity from a diamond rotation Raman spectrum obtained by irradiating a diamond rotated to a predetermined rotation angle from 0 to 360° with a diamond rotation Raman laser, which is an incident laser with a focus adjusted to the diamond and a polarization angle fixed, plot the diamond rotation peak intensity acquired by the diamond rotation peak intensity acquisition unit for each rotation angle to obtain a diamond rotation angle-dependent profile, acquire a seed substrate rotation peak intensity from a seed substrate rotation Raman spectrum obtained by irradiating a seed substrate rotated to a predetermined rotation angle from 0 to 360° with a seed substrate rotation Raman laser, which is an incident laser with a focus adjusted to the seed substrate and a polarization angle fixed, plot the seed substrate rotation peak intensity acquired by the seed substrate rotation peak intensity acquisition unit for each rotation angle to obtain a seed substrate rotation angle-dependent profile, calculate a substrate rotation profile matching degree between the diamond rotation angle-dependent profile and the seed substrate rotation angle-dependent profile, compare the substrate rotation profile matching degree calculated by the substrate rotation profile matching degree calculation unit with a predetermined threshold value, and estimate the crystal quality of the diamond by determining whether the comparison result in the substrate rotation profile matching degree comparison unit is a matching degree equal to or higher than a predetermined threshold value, function as a diamond rotation crystal quality estimation unit for the crystal quality estimation program described in (5) above.

[0025] A recording medium characterized by recording the program according to any one of (1) to (6) above.

[0026] (8) A crystal quality estimation method for estimating the crystal quality of a measurement sample having a predetermined crystal plane using Raman spectroscopy, wherein a computer acquires the polarized peak intensity from the polarized Raman spectrum obtained by irradiating the measurement sample with a polarized Raman laser, which is an incident laser adjusted to a predetermined polarization angle from 0 to 360°, plots the polarized peak intensity acquired by the polarized peak intensity acquisition unit for each polarization angle to obtain a polarization angle dependence profile, calculates the polarization profile matching degree between the polarization angle dependence profile acquired by the polarization angle dependence profile acquisition unit and the polarization angle dependence profile of the standard sample of the measurement sample, compares the polarization profile matching degree calculated by the polarization profile matching degree calculation unit with a predetermined threshold value, acquires the polarized peak full width at half maximum from the polarized Raman spectrum, calculates the average value of the polarized peak full width at half maximum acquired by the polarized peak full width at half maximum acquisition unit, calculates the polarized peak full width at half maximum matching degree between the average value of the polarized peak full width at half maximum calculated by the polarized peak full width at half maximum average value calculation unit and the average value of the polarized peak full width at half maximum of the standard sample of the measurement sample, compares the polarized peak full width at half maximum matching degree calculated by the polarized peak full width at half maximum matching degree calculation unit with a predetermined threshold value, acquires the polarized peak wave number from the polarized Raman spectrum, calculates the average value of the polarized peak wave number acquired by the polarized peak wave number acquisition unit, calculates the polarized peak wave number matching degree between the average value of the polarized peak wave number calculated by the polarized peak wave number average value calculation unit and the average value of the polarized peak wave number of the standard sample of the measurement sample, compares the polarized peak wave number matching degree calculated by the polarized peak wave number matching degree calculation unit with a predetermined threshold value, Determine whether all of the comparison results in the polarization profile matching degree comparison unit, the comparison results in the polarization peak half-value width comparison unit, and the comparison results in the polarization peak wave number comparison unit are only degrees of match equal to or greater than their respective predetermined thresholds. A crystal quality estimation method characterized by this.

Brief Explanation of Drawings

[0027]

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BEST MODE FOR CARRYING OUT THE INVENTION

[0028] Embodiments of the present invention will be described in detail with reference to the drawings. The following embodiments show examples of the present invention, and the present invention is not limited to the following embodiments. Also, forms combining each embodiment are also feasible.

[0029] 1. Outline of the apparatus used for the crystal quality estimation program FIG. 1 is a schematic diagram showing an example of an apparatus 10 used for the crystal quality estimation program according to the present embodiment. The apparatus 10 includes a polarization system 20, a turntable 30, a confocal system 40, and computers 50, 50-1, 50-2, 50-3 according to the present embodiment. The present invention estimates the crystal quality of a measurement sample using Raman spectroscopy by the apparatus 10

[0030] As shown in FIG. 1, the apparatus 10 condenses the incident laser of the excitation light indicated by the downward arrow in FIG. 1 with the objective lens of the microscope and irradiates the measurement sample according to an instruction from the crystal quality estimation program according to the present invention described later. The scattered laser indicated by the upward arrow in FIG. 1 from the measurement sample is spectroscopically analyzed by a spectroscope (not shown) via the objective lens in the backscattering arrangement, and is detected for each wavelength by a detector (not shown).

[0031] For example, in order to adjust the polarization angle of the incident laser, the polarization angle can be rotated by 90° by using a half-wave plate (not shown). In this way, by using various wave plates, the linearly polarized light of the incident laser can be adjusted to various polarization angles. At the same time, the scattered light can also be polarized at an arbitrary angle by using a polarizer.

[0032] As a symbol notation method for the coordinates of the measurement arrangement, the irradiation (incident) direction of the incident laser is the Z coordinate, and the scattering direction of the scattered laser is Z in the backscattering arrangement coordinates - If we do so, when describing each polarization direction in parentheses, Incident direction of incident laser (incident laser polarization direction, scattered laser polarization direction) Scattered light coordinate direction It can be expressed as. For example, when the polarization direction of the incident light is polarized to a transverse wave (0 degrees) and the polarization direction of the scattered light is polarized to a longitudinal wave (90 degrees), the description can be written as Z(0,90)Z - and can be denoted as such.

[0033] As shown in FIG. 1, the apparatus 10 is a polarization Raman spectroscopic analysis sample rotating apparatus equipped with a polarization system 20 and a confocal system 40 capable of adjusting the polarization angle as described above for the incident laser and / or the scattered laser, and further combined with a turntable 30 on which the sample can rotate 360°. In this way, in the apparatus 10, since the polarization angle, the adjustment of the confocal, and the rotation angle of the sample can be adjusted by one apparatus, various conditions can be adjusted while the sample is placed on the turntable, and measurement by Raman spectroscopy can be performed.

[0034] An example of a measurement example of Raman scattering intensity is shown below. The measurement conditions are shown below. As the incident laser, a Raman laser with an excitation laser wavelength of 532 nm is used, and it is focused to a spot diameter of about 5 μm with a 20x objective lens and irradiated onto the measurement sample. The spectrometer is a single monochromator, with a focal length of 500 mm, a grating groove density of 3000 grooves / mm, and a slit at the spectrometer inlet of φ25 μm. As the measurement sample, a commercially available Si substrate with a pre-determined plane orientation is used, and the polarization direction of the incident laser is fixed to a transverse wave (X) or a longitudinal wave (Y), and the polarization angle of the scattered laser is changed every 5 degrees to measure the peak near 520 cm -1 of the Raman peak of Si.

[0035] The confocal system 40 can eliminate scattered lasers in a non-focused wavenumber region as much as possible. Utilizing this, if the focus is adjusted to the measurement sample to be measured, for example, it becomes possible to measure diamond grown on a seed substrate such as Si. For the measurement, for example, a device (manufactured by WITec, model name alpha 300R) having a confocal system 40 can be attached to the device 10 and used.

[0036] The confocal system 40 has the characteristic of being able to eliminate scattered light from non-focused regions as much as possible. In the experimental apparatus, by using the conventionally known TrueSurface method for the incident laser and the measurement sample, confocal can be maintained without being affected by the surface shape.

[0037] The measurement example of the confocal system 40 can be as follows. For example, the excitation laser wavelength of the incident laser is 532 nm. The incident laser irradiates the sample with a spot diameter <1 μm. The scattered Raman light is collected with a 100x objective lens (numerical aperture 0.9). The Raman scattered light can be introduced into the spectrometer highly efficiently without intensity reduction because the core of the photonic fiber is used as a pinhole and it is introduced into the spectrometer without using the spectrometer inlet slit.

[0038] As the spectroscope, for example, the focal length is 300 mm and the grating has 1800 grooves / mm. When Raman measurement is performed with this configuration, problems such as the bleeding and distortion of the scattered laser are eliminated, enabling imaging measurement that exceeds the theoretical diffraction limit and the theoretical device resolution.

[0039] 2. Computer The device 10 includes computers 50, 50-1, 50-2, and 50-3 for processing various data from the Raman spectrum detected by the detector. FIG. 2 is a block diagram showing the hardware configuration of the computer that functions the crystal quality estimation program according to this embodiment.

[0040] The computer 50 includes a CPU (Central Processing Unit) 51 that performs various processes, a memory 52, a non-volatile storage device 53, an input means 54, a monitor 55, and an input / output interface 56. The computers 50-1, 50-2, and 50-3 also have the same hardware configuration as the computer 50.

[0041] The CPU 51 loads and executes the program stored in the storage device 53 into the memory 52. Each function described later is executed by the CPU 51. The storage device 53 stores various data in addition to the program. The storage device 53 is a non-volatile memory such as a ROM (Random Access Memory) or an HDD that can be connected externally. Also, it may be mainly a medium that can store a program, such as a floppy (registered trademark) disk, a hard disk, an optical disk, a CD-ROM, a DVD-ROM, a ROM, etc., as long as it can magnetically or optically store data.

[0042] The recording medium according to the present invention mainly includes those that magnetically or optically store information, such as floppy (registered trademark) disks, hard disks, optical disks, CD-ROMs, DVD-ROMs, ROMs, etc., and any medium capable of storing programs may be used. The recording medium according to the present invention stores the program according to the present invention and can function on the computer 50 by being connected to the input / output interface 56 of the computer 50.

[0043] The program according to the present invention stored in the storage device 53 is loaded into the memory 52. The input means 54 is a device for information input. The execution results of the CPU 51 and the like are displayed on the monitor 55. The input / output interface 56 is an interface for irradiating the Raman laser, receiving detection data of the detected wave number, or transmitting and receiving with an external device in the Raman spectroscopic measurement device.

[0044] The input means 54 includes a keyboard, a mouse, etc., and is used to select various selection items displayed on the monitor 55 or input the polarization angle, the rotation angle of the turntable, etc. into the input items.

[0045] 2-1. Embodiment 1 FIG. 3 is a block diagram showing the functional configuration of a computer that functions the crystal quality estimation program according to the first embodiment. The computer 50 includes a polarization peak intensity acquisition unit 50a, a polarization angle-dependent profile acquisition unit 50b, a polarization profile consistency calculation unit 50c, a polarization profile consistency comparison unit 50d, a polarization peak half-width acquisition unit 50e, a polarization peak half-width average value calculation unit 50f, a polarization peak half-width consistency calculation unit 50g, a polarization peak half-width comparison unit 50h, a polarization peak wave number acquisition unit 50i, a polarization peak wave number average value calculation unit 50j, a polarization peak wave number consistency calculation unit 50k, a polarization peak wave number comparison unit 50l, a polarization angle reading unit 50m, a polarized Raman laser irradiation unit 50n, a polarized Raman spectrum storage unit 50o, a polarization angle addition unit 50p, a polarization angle determination unit 50q, and a polarized crystal quality estimation unit 50r. These functions are realized by the cooperation of the above-described hardware resources. These functions will be described in detail with reference to FIG. 4.

[0046] Figure 4 is a flowchart of the crystal quality estimation method according to Embodiment 1. It will be described together with FIGS. 1 and 3.

[0047] First, the polarization angle reading unit 50m reads out the initial polarization angle of the Raman laser stored in the storage device 53 in advance (S11). When adjusting the polarization angle from 0° to 360°, the initial polarization angle is usually stored in the storage device 53 as 0°. In some cases, the initial polarization angle may not be 0°. The polarized Raman laser irradiation unit 50n irradiates the measurement sample placed on the turntable 30 with a polarized Raman laser, which is the incident laser, at the initial polarization angle read by the polarization angle reading unit 50m (S12). Conditions other than the polarization angle are the same as those in the prior art.

[0048] The polarized Raman spectrum storage unit 50o stores the polarized Raman spectrum detected by the irradiation of the polarized Raman laser by the polarized Raman laser irradiation unit 50n (S13). After the Raman spectrum is stored by the polarized Raman spectrum storage unit 50o, the polarization angle addition unit 50p adds a predetermined angle to the polarization angle of the polarized Raman laser irradiated to the measurement sample (S14). For example, if the predetermined angle is 5°, 73 Raman spectra from 0° to 360° can be obtained.

[0049] The polarization angle determination unit 50q determines whether the polarization angle added by the polarization angle addition unit 50p is less than 360° (S15). If it is less than 360° (S15, yes), the process returns to S12.

[0050] In the determination by the polarization angle determination unit 50q, when the added polarization angle is 360° (S15, no), the polarization peak intensity acquisition unit 50a acquires the polarization peak intensity from the polarization Raman spectra of the respective polarization angles stored in the storage device 53 (S16). Specifically, the polarization peak intensity acquisition unit 50a acquires the maximum peak intensity as the polarization peak intensity in the polarization Raman spectra of the respective polarization angles. The polarization angle dependence profile acquisition unit 50b plots the polarization peak intensities acquired by the polarization peak intensity acquisition unit 50a for each polarization angle, and acquires a polarization angle dependence profile (S17). The obtained plot is as shown in FIG. 6, for example. This will be described later.

[0051] The polarization profile matching degree calculation unit 50c calculates the polarization profile matching degree between the polarization angle dependence profile acquired by the polarization angle dependence profile acquisition unit 50b and the standard sample polarization angle dependence profile, which is the standard sample polarization angle dependence profile in the standard sample of the measurement sample (S18). The standard sample represents an ideal state without any impurities or defects in the measurement sample. If the standard sample polarization angle dependence profile can be logically obtained from the ideal state, that profile may be used. Alternatively, a sample obtained by processing the measurement sample along the easy processing direction may be used as the standard sample. For this standard sample, the profile, full width at half maximum, and wave number may be obtained in advance and used as a comparison target described later.

[0052] The degree of polarization profile matching can be obtained, for example, as follows. The deviation between the peak intensity at each polarization angle in the standard sample and the peak intensity at each polarization angle can be calculated as a ratio to the peak intensity. For example, when the peak intensity of the measurement sample at 0° is 99 cps and the peak intensity of the standard sample is 100 cps, the degree of polarization profile matching is 100 - |((99 - 100) / 100)×100| = 99%. When the Raman spectrum is obtained by adding the polarization angles from 0 to 360° in increments of 5°, the deviations of 73 peak intensities in total can be calculated. Therefore, the average of these can be calculated as the degree of polarization profile matching with the standard sample for the entire material. Also, the polarization angle-dependent profile and the polarization angle-dependent profile of the standard sample may be calculated using the least squares method.

[0053] The polarization profile matching degree comparison unit 50d reads out a predetermined threshold value stored in the storage device 53, and compares the polarization profile matching degree calculated by the polarization profile matching degree calculation unit 50c with the predetermined threshold value (S19). For example, when the polarization profile matching degree is 99% and the threshold value is 96%, the polarization profile matching degree is equal to or higher than the threshold value. This threshold value may be an empirical value obtained from the results accumulated when considering the present invention. It may be appropriately changed according to the product using the measurement sample.

[0054] Also, in the determination by the polarization angle determination unit 50q, when the added polarization angle is 360° (S15, no), together with the polarization peak intensity acquisition unit 50a, the polarization peak half-width acquisition unit 50e acquires the polarization peak half-width from the polarization Raman spectra at each polarization angle stored in the storage device 53 (S20). The polarization peak half-width is the half-width of the peak indicating the maximum peak intensity. The polarization peak half-width is the half-width of the peak indicating the maximum peak intensity of the polarization Raman spectrum. For example, it can be obtained using an index generally used in the quality evaluation of crystals, such as FWHM (Full Width at Half Maximum).

[0055] The average polarization peak half-width calculation unit 50f calculates the average value of the polarization peak half-widths acquired by the polarization peak half-width acquisition unit 50e (S21). For example, when 73 Raman profiles are acquired as described above, the average value is calculated as the value obtained by dividing the sum of the polarization peak half-widths acquired from each Raman profile by 73.

[0056] The polarization peak half-width consistency calculation unit 50g calculates the polarization peak half-width consistency between the average value of the polarization peak half-widths calculated by the polarization peak half-width average value calculation unit 50f and the average value of the polarization peak half-widths in the standard sample of the measurement sample (S22). The polarization peak half-width consistency can be, for example, the absolute value of the value (%) obtained by subtracting the average value of the polarization peak half-widths of the standard sample from the average value of the polarization peak half-widths of the measurement sample, dividing by the polarization peak half-width of the standard sample, and multiplying by 100, and then subtracting this calculated value from 100. This may be the same calculation method as that of the polarization profile consistency calculation unit.

[0057] The polarization peak half-width comparison unit 50h compares the polarization peak half-width consistency calculated by the polarization peak half-width consistency calculation unit 50g with a predetermined threshold value (S23). This threshold value may also be an empirical value obtained from the results accumulated when considering the present invention, as described above.

[0058] Furthermore, in the determination by the polarization angle determination unit 50q, when the added polarization angles are 360° (S15, no), together with the polarization peak intensity acquisition unit 50a and the polarization peak half-width acquisition unit 50e, the polarization peak wave number acquisition unit 50i acquires the polarization peak wave numbers from the respective polarization Raman spectra stored in the storage device 53 (S24). The polarization peak wave number is the wave number of the peak indicating the maximum peak intensity of the polarization Raman spectrum. The average polarization peak wave number calculation unit 50j calculates the average value of the polarization peak wave numbers acquired by the polarization peak wave number acquisition unit 50i (S26). For example, when 73 polarization Raman spectra are stored in the storage device 53, it may be the value obtained by obtaining 73 polarization peak wave numbers and dividing their sum by 73.

[0059] The polarization peak frequency matching degree calculation unit 50k calculates the polarization peak frequency matching degree between the average value of the polarization peak frequencies calculated by the polarization peak frequency average value calculation unit 50j and the average value of the standard sample polarization peak frequencies in the standard sample of the measurement sample (S26). The polarization peak frequency matching degree can be, for example, a value obtained by subtracting the average value of the polarization peak frequencies of the standard sample from the average value of the polarization peak frequencies of the measurement sample, dividing by the polarization peak frequency of the standard sample, multiplying by 100, and taking the absolute value of the result (%), and then subtracting this calculated value from 100. This may be the same calculation method as that of the polarization profile matching degree calculation unit and the polarization peak half-width matching degree calculation unit.

[0060] The polarization peak frequency comparison unit 50l compares the polarization peak frequency matching degree calculated by the polarization peak frequency matching degree calculation unit 50k with the threshold value read from the storage device 53 (S27). This threshold value is also an empirical value obtained from the results accumulated when considering the present invention, as described above.

[0061] The polarization crystal quality estimation unit 50r estimates the crystal quality by determining whether, among the comparison results of the polarization profile matching degree comparison unit 50d, the comparison results of the polarization peak half-width comparison unit 50h, and the comparison results of the polarization peak frequency comparison unit 50l, each matching degree is only equal to or greater than the respective threshold value (S28). If all the matching degrees are equal to or greater than the respective threshold values (S28, yes), the polarization crystal quality estimation unit 50r estimates that the crystal quality of the measurement sample is of high quality (S29) and ends. If any one of the matching degrees is less than the respective threshold value (S28, no), the polarization crystal quality estimation unit 50r estimates that the crystal quality of the measurement sample is of low quality (S30) and ends.

[0062] As described above, in Embodiment 1, the measurement substrate having a predetermined angle is evaluated using Raman spectra at all angles from 0 to 360°. Therefore, compared with the case of evaluating using a Raman spectrum obtained by a conventional Raman laser having a specific polarization angle as in the prior art, the crystal quality can be estimated by a high-quality evaluation that does not depend on the polarization angle.

[0063] Furthermore, not only the Raman intensity profile obtained from such a Raman spectrum, but also the peak half-width and the peak wavenumber are used to estimate crystal defects and internal stress, enabling an estimation of crystal quality far exceeding the conventional accuracy.

[0064] FIG. 5 shows the profiles of the polarization angle and the peak intensity on each crystal plane in a measurement sample measured by the crystal quality estimation program according to Embodiment 1. FIG. 5(a) shows the (100) plane, FIG. 5(b) shows the (110) plane, and FIG. 5(c) shows the (111) plane. In each figure, the figure extending radially from the center to the outer periphery has the outer periphery as the polarization angle and the distance from the center represents the peak intensity. Thus, the peak intensity profiles vary greatly depending on the crystal plane. Also, the peak intensity varies greatly depending on the polarization angle. For this reason, in a measurement with a fixed polarization angle as in the prior art, it is not possible to accurately estimate the quality of the measurement sample, but in the present invention, by adjusting the polarization angle, it becomes possible to accurately estimate the quality of the measurement sample.

[0065] 2-2. Embodiment 2 FIG. 6 is a block diagram showing the functional configuration of a computer 50-1 that causes the crystal quality estimation program according to the second embodiment to function. In FIG. 6, descriptions of functions overlapping those in FIG. 3 are omitted. In addition to the functional configuration of the computer 50 in FIG. 3, the computer 50-1 includes a rotational peak intensity acquisition unit 50-1aa, a rotation angle-dependent profile acquisition unit 50-1bb, a rotational profile matching degree calculation unit 50-1cc, a rotational profile matching degree comparison unit 50-1dd, a rotational peak half-value width acquisition unit 50-1ee, a rotational peak half-value width average value calculation unit 50-1ff, a rotational peak half-value width matching degree calculation unit 50-1gg, a rotational peak half-value width comparison unit 50-1hh, a rotational peak wave number acquisition unit 50-1ii, a rotational peak wave number average value calculation unit 50-1jj, a rotational peak wave number matching degree calculation unit 50-1kk, a rotational peak wave number comparison unit 50-1ll, a rotation angle reading unit 50-1mm, a rotational Raman laser irradiation unit 50-1nn, a rotational Raman spectrum storage unit 50-1oo, a rotation angle addition unit 50-1pp, a rotation angle determination unit 50-1qq, and a rotational crystal quality estimation unit 50-1rr. These functions are realized by the cooperation of the above-described hardware resources. These functions will be described later with reference to FIG. 7.

[0066] FIG. 7 is a flowchart of the crystal quality estimation method according to the second embodiment. Since S11 to S28 and S30 in FIG. 7 are the same as those in FIG. 4, the descriptions thereof are omitted. In S28, when the matching degrees of the profiles, the half-value widths, and the peak wave numbers are all equal to or greater than the threshold values (S28, yes), the process proceeds to S31.

[0067] After S31, in S11 to S30, the crystal quality is estimated based on each rotational Raman spectrum obtained by irradiating a measurement sample rotated to a predetermined rotation angle from 0 to 360° with an incident laser having a fixed polarization angle, which is different. That is, in the first embodiment, the crystal quality is estimated by the same method as in the first embodiment, except that the profiles, half-value widths, and wave numbers obtained from the Raman spectra with different polarization angles are used for evaluation.

[0068] First, the rotation angle reading unit 50-1mm reads out the initial rotation angle of the Raman laser stored in the storage device 53 in advance (S31). When adjusting the rotation angle from 0 to 360°, the initial rotation angle is usually stored in the storage device 53 as 0°. In some cases, the initial rotation angle may not be 0°. The rotating Raman laser irradiation unit 50-1nn irradiates the measurement sample placed on the turntable 30 with the rotating Raman laser, which is the incident laser, at the initial rotation angle read by the rotation angle reading unit 50-1mm (S32). Conditions other than the rotation angle are the same as those in the prior art. The polarization angle may be any angle from 0 to 360°.

[0069] The rotating Raman spectrum storage unit 50-1oo stores the rotating Raman spectrum detected by the irradiation of the rotating Raman laser by the rotating Raman laser irradiation unit 50-1nn (S33). After the Raman spectrum is stored by the rotating Raman spectrum storage unit 50-1oo, the rotation angle addition unit 50-1pp adds a predetermined angle to the rotation angle of the rotating Raman laser irradiated on the measurement sample (S34). For example, if the predetermined angle is 5°, 73 Raman spectra from 0 to 360° can be obtained.

[0070] The rotation angle determination unit 50-1qq determines whether the rotation angle added by the rotation angle addition unit 50-1pp is less than 360° (S35). If it is less than 360° (S35, yes), the process returns to S12.

[0071] In the determination by the rotation angle determination unit 50-1qq, when the added rotation angle is 360° (S35, no), the rotation peak intensity acquisition unit 50-1aa acquires the rotation peak intensity from the rotation Raman spectra of the respective rotation angles stored in the storage device 53 (S36). Specifically, the rotation peak intensity acquisition unit 50-1aa acquires the maximum peak intensity as the rotation peak intensity in the rotation Raman spectrum of each rotation angle. The rotation angle-dependent profile acquisition unit 50-1bb plots the rotation peak intensity acquired by the rotation peak intensity acquisition unit 50-1aa for each rotation angle to acquire a rotation angle-dependent profile (S37). The obtained plot is as shown in FIG. 6, for example. This will be described later.

[0072] The rotation profile matching degree calculation unit 50-1cc calculates the rotation profile matching degree between the rotation angle-dependent profile acquired by the rotation angle-dependent profile acquisition unit 50-1bb and the rotation angle-dependent profile in the standard sample of the measurement sample (S38). The standard sample represents a sample in an ideal state without any impurities or defects in the measurement sample. When the standard sample rotation angle-dependent profile can be logically obtained from the ideal state, that profile may be used. Alternatively, a sample obtained by processing the measurement sample along the easy processing direction may be used as the standard sample. For this standard sample, the profile, full width at half maximum, and wave number may be obtained in advance and used as a comparison target described later.

[0073] The rotational profile consistency can be determined, for example, as follows. The deviation between the peak intensity at each rotation angle in the standard sample and the peak intensity at each rotation angle can be calculated as a percentage with respect to the peak intensity. For example, if the peak intensity of the measurement sample at 0° is 99 cps and the peak intensity of the standard sample is 100 cps, the rotational profile consistency is 100 - |((99 - 100) / 100)×100| = 99%. When the Raman spectrum is obtained by adding the rotation angles from 0 to 360° in increments of 5°, a total of 73 peak intensity deviations can be calculated. Therefore, the average of these can be calculated as the rotational profile consistency with the standard sample for the entire material. Also, the rotation angle-dependent profile and the rotation angle-dependent profile of the standard sample may be calculated using the least squares method.

[0074] The rotational profile consistency comparison unit 50 - 1dd reads a predetermined threshold value stored in the storage device 53 and compares the rotational profile consistency calculated by the rotational profile consistency calculation unit 50 - 1cc with the predetermined threshold value (S39). For example, when the rotational profile consistency is 99% and the threshold value is 96%, the rotational profile consistency is equal to or higher than the threshold value. This threshold value may be an empirical value obtained from the results accumulated when considering the present invention. It may be appropriately changed according to the product using the measurement sample.

[0075] Also, in the determination by the rotation angle determination unit 50 - 1qq, when the added rotation angle is 360° (S35, no), together with the rotation peak intensity acquisition unit 50 - 1aa, the rotation peak half-width acquisition unit 50 - 1ee acquires the rotation peak half-width from the rotation Raman spectra at each rotation angle stored in the storage device 53 (S40). The rotation peak half-width is the half-width of the peak indicating the maximum peak intensity. The rotation peak half-width is the half-width of the peak indicating the maximum peak intensity of the rotation Raman spectrum. For example, it can be acquired using an index generally used in the quality evaluation of crystals, such as FWHM (Full Width at Half Maximum).

[0076] The rotational peak full width at half maximum average value calculation unit 50-1ff calculates the average value of the rotational peak full width at half maximum acquired by the rotational peak full width acquisition unit 50-1ee (S41). For example, when 73 Raman profiles are acquired as described above, the value obtained by dividing the sum of the rotational peak full widths at half maximum acquired from each Raman profile by 73 is calculated as the average value.

[0077] The rotational peak full width at half maximum degree of coincidence calculation unit 50-1gg calculates the degree of coincidence of the rotational peak full width at half maximum between the average value of the rotational peak full width at half maximum calculated by the rotational peak full width average value calculation unit 50-1ff and the average value of the rotational peak full width at half maximum in the standard sample of the measurement sample (S42). The degree of coincidence of the rotational peak full width at half maximum can be, for example, the absolute value of the value (%) obtained by subtracting the average value of the rotational peak full width at half maximum of the standard sample from the average value of the rotational peak full width at half maximum of the measurement sample, dividing by the rotational peak full width at half maximum of the standard sample, and multiplying by 100, and subtracting this calculated value from 100. This may be the same calculation method as that of the rotational profile degree of coincidence calculation unit.

[0078] The rotational peak full width at half maximum comparison unit 50-1hh compares the degree of coincidence of the rotational peak full width at half maximum calculated by the rotational peak full width at half maximum degree of coincidence calculation unit 50-1gg with a predetermined threshold value (S43). This threshold value may also be an empirical value obtained from the results accumulated when considering the present invention, as described above.

[0079] Furthermore, in the determination by the rotation angle determination unit 50-1qq, when the added rotation angle is 360° (S35, no), together with the rotation peak intensity acquisition unit 50-1aa and the rotation peak half-width acquisition unit 50-1ee, the rotation peak frequency acquisition unit 50-1ii acquires the rotation peak frequency from each of the rotation Raman spectra stored in the storage device 53 (S44). The rotation peak frequency is the frequency of the peak indicating the maximum peak intensity of the rotation Raman spectrum. The rotation peak frequency average value calculation unit 50-1jj calculates the average value of the rotation peak frequencies acquired by the rotation peak frequency acquisition unit 50-1ii (S45). For example, when 73 rotation Raman spectra are stored in the storage device 53, it may be the value obtained by obtaining 73 rotation peak frequencies and dividing the sum thereof by 73.

[0080] The rotation peak frequency consistency calculation unit 50-1kk calculates the rotation peak frequency consistency between the average value of the rotation peak frequencies calculated by the rotation peak frequency average value calculation unit 50-1jj and the average value of the rotation peak frequencies in the standard sample of the measurement sample (S46). The rotation peak frequency consistency can be, for example, the absolute value of the value (%) obtained by subtracting the average value of the rotation peak frequencies of the standard sample from the average value of the rotation peak frequencies of the measurement sample, dividing by the rotation peak frequency of the standard sample, and multiplying by 100, and subtracting this calculated value from 100. This may be the same calculation method as that of the rotation profile consistency calculation unit and the rotation peak half-width consistency calculation unit.

[0081] The rotation peak frequency comparison unit 50-1ll compares the rotation peak frequency consistency calculated by the rotation peak frequency consistency calculation unit 50-1kk with the threshold value read from the storage device 53 (S47). This threshold value is also an empirical value obtained from the results accumulated when considering the present invention, as described above.

[0082] The rotational crystal quality estimation unit 50-1rr estimates the crystal quality by determining whether, among the comparison results from the rotational profile matching degree comparison unit 50-1dd, the comparison results from the rotational peak full width at half maximum comparison unit 50-1hh, and the comparison results from the rotational peak wave number comparison unit 50-1ll, each has a matching degree greater than or equal to its respective threshold value (S48). If all the matching degrees are greater than or equal to their respective threshold values (S48, yes), the rotational crystal quality estimation unit 50-1rr estimates that the crystal quality of the measurement sample is of high quality (S49) and ends. If any one of the matching degrees is less than its respective threshold value (S48, no), the rotational crystal quality estimation unit 50-1rr estimates that the crystal quality of the measurement sample is of low quality (S50) and ends.

[0083] In this way, in Embodiment 2, after estimating the crystal quality based on the polarization angle dependence, the crystal quality is further estimated based on the rotation angle dependence of the sample. Therefore, since an estimation independent of the crystal plane of the measurement sample is performed, the crystal quality can be estimated with higher accuracy.

[0084] FIG. 8 shows the profiles of the rotation angle and peak intensity of each crystal plane in a measurement sample measured using the crystal quality estimation program according to Embodiment 2. FIG. 8(a) shows the (100) plane, FIG. 8(b) shows the (110) plane, and FIG. 8(c) shows the (111) plane. The radial circles in FIG. 8 are, as described above, the outer circumference is the rotation angle of the measurement sample, and the length from the center to the outer circumference is the peak intensity. As is clear from FIG. 8, the peak intensity varies greatly depending on the rotation angle of the sample. For this reason, in a measurement with the sample fixed as in the prior art, the quality of the measurement sample cannot be accurately estimated. However, in the present invention, since the crystal quality is estimated using Raman spectra at various rotation angles, it is possible to estimate the quality of the measurement sample even more accurately.

[0085] In Embodiment 2, as described above, after obtaining the profile of the polarization angle dependency, the profile of the rotation angle dependency of the measurement sample is obtained, but it is not simply a combination of the polarization angle dependency and the rotation angle dependency of the measurement sample. In the polarization angle dependency, since the measurement sample is fixed, the measurement accuracy with the adjusted polarization angle is extremely high. On the other hand, when the measurement sample is rotated, there is a side that depends on the surface state of the measurement sample, so the measurement accuracy with the rotated angle polarized may be slightly inferior compared to the measurement accuracy with the adjusted polarization angle.

[0086] Therefore, in Embodiment 2, after estimating the crystal quality with high accuracy based on the polarization angle dependency, the crystal quality is further estimated based on the rotation angle dependency to improve the accuracy. Therefore, in Embodiment 2, as a preferred form, after estimating the crystal quality based on the polarization angle dependency, the crystal quality is estimated based on the rotation angle dependency. Depending on the measurement sample, after estimating the crystal quality based on the rotation angle dependency, the crystal quality may be estimated based on the polarization angle dependency. In that case, S11 to S30 and S31 to S50 in FIG. 7 may be interchanged. This is the same in Embodiment 4 described later.

[0087] Note that even when the crystal quality is estimated based on the polarization angle dependency, or when the crystal quality is estimated based on the rotation angle dependency, although rare, when the crystal quality is estimated based on the rotation angle dependency, the crystal quality may be estimated to be of low quality.

[0088] 2-3. Embodiment 3 Embodiment 3 is a method for estimating the quality of each layer of a laminated substrate using the confocal system 40 of FIG. 1. FIG. 9 is a block diagram showing the functional configuration of a computer that functions the crystal quality estimation program according to the present Embodiment 3.

[0089] The computer 50-2 includes a diamond polarization peak intensity acquisition unit 50-2a, a diamond polarization angle-dependent profile acquisition unit 50-2b, a seed substrate polarization peak intensity acquisition unit 50-2e, a seed substrate polarization angle-dependent profile acquisition unit 50-2f, a substrate polarization profile matching degree calculation unit 50-2g, a substrate polarization profile matching degree comparison unit 50-2h, a polarization angle reading unit 50-2m, a polarized Raman laser irradiation unit 50-2n, a polarized Raman spectrum storage unit 50-2o, a polarization angle addition unit 50-2p, a polarization angle determination unit 50-2q, and a diamond polarization crystal quality estimation unit 50-2r, and a confocal setting reading unit 50-2s. These functions are realized by the cooperation of the above-described hardware resources. These functions will be described in detail with reference to FIG. 10.

[0090] In Embodiment 3, for example, in a substrate sample in which diamond has grown on a seed substrate (e.g., an Si substrate) whose crystal quality is estimated to be high quality in Embodiment 1 or Embodiment 2, a method for evaluating the quality of the Si substrate and diamond will be described.

[0091] FIG. 10 is a flowchart of the crystal quality estimation method according to the present Embodiment 3. S101 to S105 in FIG. 10 are the same as S10 to S15 in FIG. 4, except that the confocal setting reading unit 50-2s reads the confocal setting of the Raman laser (S101-2, S108-2).

[0092] First, the polarization angle reading unit 50-2m reads the initial polarization angle of the Raman laser stored in the storage device 53 in advance (S101-1). When adjusting the polarization angle from 0 to 360°, the initial polarization angle is usually stored in the storage device 53 as 0°. In some cases, the initial polarization angle may not be 0°. The confocal setting reading unit 50-2s reads the confocal setting information of the Raman laser stored in the storage device 53 in advance (S101-2). In S101-2, setting information for matching the confocal to the diamond grown on the seed substrate is read.

[0093] The polarized Raman laser irradiation unit 50-2n irradiates a polarized Raman laser, which is an incident laser, onto the diamond grown on a certain substrate placed on the turntable 30 based on the initial polarization angle and confocal setting information read by the polarization angle reading unit 50-2m and the confocal setting reading unit 50-2s (S102). Conditions other than the polarization angle are the same as those in the prior art.

[0094] The polarized Raman spectrum storage unit 50-2o stores the polarized Raman spectrum detected by the irradiation of the polarized Raman laser by the polarized Raman laser irradiation unit 50-2n (S103). After the Raman spectrum is stored by the polarized Raman spectrum storage unit 50-2o, the polarization angle addition unit 50-2p adds a predetermined angle to the polarization angle of the polarized Raman laser irradiated on the diamond (S104). For example, if the predetermined angle is 5°, 73 Raman spectra can be obtained from 0 to 360°.

[0095] The polarization angle determination unit 50-2q determines whether the polarization angle added by the polarization angle addition unit 50-2p is less than 360° (S105). If it is less than 360° (S105, yes), the process returns to S102.

[0096] In the determination by the polarization angle determination unit 50-2q, when the added polarization angle is 360° (S105, no), the diamond polarization peak intensity acquisition unit 50-2a acquires the diamond polarization peak intensity from the polarized Raman spectra of each polarization angle stored in the storage device 53 respectively (S106). Specifically, the diamond polarization peak intensity acquisition unit 50-2a acquires the maximum peak intensity as the polarization peak intensity in the polarized Raman spectrum of each diamond polarization angle. The diamond polarization angle-dependent profile acquisition unit 50-2b plots the diamond polarization peak intensity acquired by the diamond polarization peak intensity acquisition unit 50-2a for each polarization angle and acquires a diamond polarization angle-dependent profile (S107). The diamond polarization angle-dependent profile is, for example, as shown in FIG. 11 or FIG. 12. This will be described later.

[0097] Next, the polarization angle reading unit 50-2m reads out the initial polarization angle of the Raman laser stored in the storage device 53 in advance (S108-1). In S108-1, since it is after acquiring the Raman spectrum of diamond, when adjusting the polarization angle from 0 to 360°, the initial polarization angle is usually stored in the storage device 53 as 0°. In some cases, the initial polarization angle may not be 0°. The confocal setting reading unit 50-2s reads out the confocal setting information of the Raman laser stored in the storage device 53 in advance (S108-2). In S108-2, the setting information for matching the confocal to the seed substrate is read.

[0098] Based on the initial polarization angle and the confocal setting information read by the polarization angle reading unit 50-2m and the confocal setting reading unit 50-2s, the polarized Raman laser irradiation unit 50-2n irradiates the polarized Raman laser, which is the incident laser, onto the seed substrate placed on the turntable 30 (S109). Conditions other than the polarization angle are the same as those in the prior art.

[0099] The polarized Raman spectrum storage unit 50-2o stores the polarized Raman spectrum detected by the irradiation of the polarized Raman laser by the polarized Raman laser irradiation unit 50-2n (S110). After the Raman spectrum is stored by the polarized Raman spectrum storage unit 50-2o, the polarization angle addition unit 50-2p adds a predetermined angle to the polarization angle of the polarized Raman laser irradiated on the diamond (S111). For example, if the predetermined angle is 5°, 73 Raman spectra from 0 to 360° can be obtained.

[0100] The polarization angle determination unit 50-2q determines whether the polarization angle added by the polarization angle addition unit 50-2p is less than 360° (S112). If it is less than 360° (S112, yes), it returns to S109.

[0101] In the determination by the polarization angle determination unit 50-2q, when the added polarization angle is 360° (S112, no), the seed substrate polarization peak intensity acquisition unit 50-2e acquires the diamond polarization peak intensity from the polarization Raman spectra of the respective polarization angles stored in the storage device 53 (S113). Specifically, the seed substrate polarization peak intensity acquisition unit 50-2e acquires the maximum peak intensity as the polarization peak intensity in the polarization Raman spectra of the respective seed substrate polarization angles. The seed substrate polarization angle dependence profile acquisition unit 50-2f plots the seed substrate polarization peak intensity acquired by the seed substrate polarization peak intensity acquisition unit 50-2e for each polarization angle, and acquires a seed substrate polarization angle dependence profile (S114). The diamond polarization angle dependence profile is as shown in, for example, FIG. 11 or FIG. 12. This will be described later.

[0102] The substrate polarization profile matching degree calculation unit 50-2g calculates the substrate polarization profile matching degree between the diamond polarization angle dependence profile and the seed substrate polarization angle dependence profile (S115). As the calculation method of the substrate rotation profile matching degree, the same method as S18 in FIG. 4 can be adopted. The substrate polarization profile matching degree comparison unit 50-2h compares the substrate rotation profile matching degree calculated by the substrate polarization profile matching degree calculation unit 50-2g with a predetermined threshold value (S116). Since the threshold value is the same as S19 in FIG. 4, the description thereof is omitted.

[0103] The diamond polarization crystal quality estimation unit 50-2r estimates the crystal quality of the diamond by determining whether the comparison result in the substrate polarization profile matching degree comparison unit 50-2h is a matching degree equal to or higher than a predetermined threshold value. When the substrate polarization profile matching degree is equal to or higher than the threshold value (S117, yes), it is estimated that the crystal quality of the diamond is high quality (S118), and the process ends. On the other hand, when the substrate polarization profile matching degree is less than the threshold value (S117, no), it is estimated that the crystal quality of the diamond is low quality (S119), and the process ends.

[0104] Thus, in Embodiment 3, by using the confocal system 40 and the polarization system 20, it is possible to accurately evaluate the crystal quality of diamond grown on a seed substrate. That is, for a diamond showing a profile close to that of a high-quality seed substrate, since the crystal structure of the seed substrate is inherited by the diamond, it can be estimated that the crystal quality of the diamond is high. Furthermore, if the diamond grown on the seed substrate is used with the programs and methods of Embodiment 1 or Embodiment 2, it becomes possible to estimate the crystal quality with even higher accuracy.

[0105] Note that the seed substrate in Embodiment 3 is not particularly limited as long as it is a substrate for heteroepitaxial growth of diamond, such as Si, sapphire, MgO, etc. The same applies to Embodiment 4 described later.

[0106] FIG. 11 shows the profiles of the polarization angle and the peak intensity in a substrate sample measured using the crystal quality estimation program according to this Embodiment 3. FIG. 11(a) is the (111) plane of the Si substrate, and FIG. 11(b) is the diamond formed on the substrate. From FIG. 11, it can be seen that the profile from the flat diamond coincides with the elliptical profile of the (111) plane shown in FIG. 5(c), and it is understood that the upper surface is the (111) plane.

[0107] Also, the elliptical profile directions of the flat diamond grown on the Si(111) substrate and the Si substrate coincide. This result means that the directions of the lattice vibrations of Si and diamond coincide. Thus, the flat diamond grown on the Si(111) substrate indicates that the diamond is growing along the atomic arrangement of the substrate.

[0108] Figure 12 shows the profiles of the polarization angle and peak intensity in the substrate sample measured using the crystal quality estimation program according to Embodiment 3. Figure 12(a) shows the (100) plane of the Si substrate, and Figure 12(b) shows the diamond formed on the substrate. From Figure 12, it was found that there are crystals with the same direction and those with different directions in the profiles of the flat diamond grown on the Si(100) substrate and Si.

[0109] This result suggests that there are crystals grown with orientation alignment and those without. Also, it was found that the polarization angle dependence of the Si(100) substrate is not the figure-eight-shaped profile specific to the (100) plane shown in Figure 5(a). In preliminary experiments, the profiles of the Si(100) substrate before growth and the locations where flat diamond did not grow after growth confirmed the figure-eight-shaped (100) plane.

[0110] From the above, it is suggested that the Si(100) substrate was affected by the atomic arrangement on the surface of the Si(100) substrate during the CVD generation of the flat diamond, and did not maintain the (100) structure on the surface, and a flat diamond with a (111) plane grew on the upper surface. By combining the eutectic point and the polarization angle dependence in this way, information on the orientation relationship between the seed substrate and the grown diamond can be obtained. And as shown in Figures 11 and 12, after clarifying the relationship between the crystal plane of the diamond grown on the seed substrate and the crystal plane of the seed substrate, the quality of the diamond can be estimated from the degree of profile matching.

[0111] 2-4. Embodiment 4 In Embodiment 4, by combining the eutectic point, the polarization angle dependence, and the rotation angle dependence of the diamond, information on the orientation relationship between the seed substrate and the diamond grown on the seed substrate can be obtained with higher accuracy, and the crystal quality can be estimated with high accuracy. The details are as follows.

[0112] In Embodiment 4, in Embodiment 3 shown in FIG. 10, after obtaining the diamond polarization angle dependence profile, as shown in FIG. 7, a Raman laser with a fixed polarization angle is irradiated onto a diamond and a seed substrate rotated to a predetermined angle to obtain a rotation angle dependence profile and evaluate the degree of coincidence.

[0113] FIG. 13 is a block diagram showing a functional configuration of a computer that functions as a crystal quality estimation program according to the present Embodiment 4. In FIG. 13, the description of functions overlapping with those in FIG. 9 is omitted. In addition to the computer 50-2 shown in FIG. 9, the computer 50-3 includes a diamond rotation peak intensity acquisition unit 50-3aa, a diamond rotation angle dependence profile acquisition unit 50-3bb, a seed substrate rotation peak intensity acquisition unit 50-3ee, a seed substrate rotation angle dependence profile acquisition unit 50-3ff, a substrate rotation profile coincidence degree calculation unit 50-3gg, a substrate rotation profile coincidence degree comparison unit 50-3hh, a rotation angle reading unit 50-3mm, a rotating Raman laser irradiation unit 50-3nn, a rotating Raman spectrum storage unit 50-3oo, a rotation angle addition unit 50-3pp, a rotation angle determination unit 50-3qq, and a diamond rotation crystal quality estimation unit 50-3rr. These functions are realized by the cooperation of the above-described hardware resources. These functions will be described in detail with reference to FIG. 14.

[0114] FIG. 14 is a flowchart of a crystal quality estimation method according to the present Embodiment 4. Since S101-1 to S117 and S119 in FIG. 14 are the same as those in FIG. 10, the description thereof is omitted. In S117, when the degree of coincidence of the profile is equal to or greater than the threshold value (S117, yes), the process proceeds to S121-1.

[0115] After S121-1, in S101-1 to S119, the crystal quality is estimated based on each rotating Raman spectrum obtained by irradiating a measurement sample rotated to a predetermined rotation angle from 0 to 360° with an incident laser having a fixed polarization angle. That is, in Embodiment 3, the crystal quality is estimated by the same method as in Embodiment 4, except that evaluation is performed using a profile obtained from Raman spectra with different polarization angles.

[0116] First, the rotation angle reading unit 50-3mm reads out the initial rotation angle of the Raman laser stored in the storage device 53 in advance (S121-1). When adjusting the rotation angle from 0 to 360°, the initial rotation angle is usually stored in the storage device 53 as 0°. In some cases, the initial rotation angle may not be 0°. The confocal setting reading unit 50-3s reads out the confocal setting information of the Raman laser stored in the storage device 53 in advance (S121-2). In S121-2, the setting information for matching the confocal to the diamond grown on the seed substrate is read.

[0117] The rotating Raman laser irradiation unit 50-3nn irradiates the measurement sample placed on the turntable 30 with the rotating Raman laser, which is the incident laser, at the initial rotation angle read by the rotation angle reading unit 50-3mm (S122). Conditions other than the rotation angle are the same as before. The polarization angle may be any angle from 0 to 360°.

[0118] The rotating Raman spectrum storage unit 50-3oo stores the rotating Raman spectrum detected by the irradiation of the rotating Raman laser by the rotating Raman laser irradiation unit 50-3nn (S123). After the Raman spectrum is stored by the rotating Raman spectrum storage unit 50-3oo, the rotation angle addition unit 50-3pp adds a predetermined angle to the rotation angle of the rotating Raman laser irradiated on the measurement sample (S124). For example, if the predetermined angle is 5°, 73 Raman spectra from 0 to 360° can be obtained.

[0119] The rotation angle determination unit 50-3qq determines whether the rotation angle added by the rotation angle addition unit 50-3pp is less than 360° (S125). If it is less than 360° (S125, yes), it returns to S12.

[0120] In the determination by the rotation angle determination unit 50-3qq, when the added rotation angle is 360° (S125, no), the diamond rotation peak intensity acquisition unit 50-3aa acquires the diamond rotation peak intensity from the rotation Raman spectra of the respective rotation angles stored in the storage device 53 (S126). Specifically, the diamond rotation peak intensity acquisition unit 50-3aa acquires the maximum peak intensity as the rotation peak intensity in the rotation Raman spectrum of each diamond rotation angle. The diamond rotation angle-dependent profile acquisition unit 50-3bb plots the diamond rotation peak intensity acquired by the diamond rotation peak intensity acquisition unit 50-3aa for each rotation angle to acquire a diamond rotation angle-dependent profile (S127).

[0121] Next, the rotation angle reading unit 50-3mm reads out the initial rotation angle of the Raman laser previously stored in the storage device 53 (S128-1). In S128-1, since it is after the Raman spectrum of the diamond has been acquired, when adjusting the rotation angle from 0 to 360°, the initial rotation angle is usually stored in the storage device 53 as 0°. In some cases, the initial rotation angle may not be 0°. The confocal setting reading unit 50-3s reads out the confocal setting information of the Raman laser previously stored in the storage device 53 (S128-2). In S128-2, the setting information for matching the confocal to the seed substrate is read.

[0122] The rotation Raman laser irradiation unit 50-3nn irradiates the seed substrate placed on the turntable 30 with the rotation Raman laser, which is the incident laser, based on the initial rotation angle and the confocal setting information read by the rotation angle reading unit 50-3mm and the confocal setting reading unit 50-3s (S129). Conditions other than the rotation angle are the same as in the prior art.

[0123] The rotational Raman spectrum storage unit 50-3oo stores the rotational Raman spectrum detected by the irradiation of the rotational Raman laser by the rotational Raman laser irradiation unit 50-3nn (S130). After the Raman spectrum is stored by the rotational Raman spectrum storage unit 50-3oo, the rotational angle addition unit 50-3pp adds a predetermined angle to the rotational angle of the rotational Raman laser irradiated on the diamond (S131). For example, if the predetermined angle is 5°, 73 Raman spectra from 0 to 360° can be obtained.

[0124] The rotational angle determination unit 50-3qq determines whether the rotational angle added by the rotational angle addition unit 50-3pp is less than 360° (S132). If it is less than 360° (S132, yes), the process returns to S129.

[0125] In the determination by the rotational angle determination unit 50-3qq, when the added rotational angle is 360° (S132, no), the seed substrate rotational peak intensity acquisition unit 50-3ee acquires the diamond rotational peak intensity from the rotational Raman spectra of each rotational angle stored in the storage device 53 respectively (S133). Specifically, the seed substrate rotational peak intensity acquisition unit 50-3ee acquires the maximum peak intensity as the rotational peak intensity in the rotational Raman spectra of various substrate rotational angles. The seed substrate rotational angle-dependent profile acquisition unit 50-3ff plots the seed substrate rotational peak intensity acquired by the seed substrate rotational peak intensity acquisition unit 50-3ee for each rotational angle, and acquires the seed substrate rotational angle-dependent profile (S134).

[0126] The substrate rotation profile consistency calculation unit 50-3gg calculates the substrate rotation profile consistency between the diamond rotation angle-dependent profile and the seed substrate rotation angle-dependent profile (S135). As the method for calculating the substrate rotation profile consistency, the same method as S18 in FIG. 4 can be adopted. The substrate rotation profile consistency comparison unit 50-3hh compares the substrate rotation profile consistency calculated by the substrate rotation profile consistency calculation unit 50-3gg with a predetermined threshold (S136). Regarding the threshold, since it is the same as S19 in FIG. 4, the description is omitted.

[0127] The diamond crystal quality estimation unit 50-3rr estimates the crystal quality of the diamond by determining whether the comparison result in the substrate rotation profile consistency comparison unit 50-3hh is a consistency equal to or higher than a predetermined threshold. When the substrate rotation profile consistency is equal to or higher than the threshold (S137, yes), it is estimated that the crystal quality of the diamond is high quality (S138), and the process ends. On the other hand, when the substrate rotation profile consistency is less than the threshold (S137, no), it is estimated that the crystal quality of the diamond is low quality (S139), and the process ends.

[0128] As described above, in Embodiment 3, by using the confocal system 40, the polarization system 20, and the turntable 30, it is possible to accurately evaluate the crystal quality of the diamond grown on the seed substrate. That is, by combining the polarization angle dependency and the rotation angle dependency, it is possible to obtain more accurate information on the orientation relationship between the seed substrate and the grown diamond. Then, after clarifying the relationship between the crystal plane of the diamond grown on the seed substrate and the crystal plane of the seed substrate, the quality of the diamond can be estimated from the profile consistency.

[0129] Also, for a diamond showing a profile close to that of a high-quality seed substrate, since the crystal structure of the seed substrate is inherited by the diamond, it can be estimated that the crystal quality of the diamond is high quality. Furthermore, if the diamond grown on the seed substrate is used with the programs and methods of Embodiment 1 or Embodiment 2, it becomes possible to estimate the crystal quality with even higher accuracy.

Explanation of Signs

[0130] 10 Device 20 Polarization System 30 Turntable 40 Confocal System 50, 50-1, 50-2, 50-3 Computer

Claims

1. A crystal quality estimation program for estimating the crystal quality of a measurement sample having a predetermined crystal plane using Raman spectroscopy, wherein a computer is caused to obtain a polarization peak intensity from a polarization Raman spectrum obtained by irradiating the measurement sample with a polarization Raman laser, which is an incident laser adjusted to a predetermined polarization angle from 0 to 360°; a polarization peak intensity acquisition unit; a polarization angle dependence profile acquisition unit that plots the polarization peak intensity obtained by the polarization peak intensity acquisition unit for each polarization angle to obtain a polarization angle dependence profile; a polarization profile matching degree calculation unit that calculates a polarization profile matching degree between the polarization angle dependence profile obtained by the polarization angle dependence profile acquisition unit and the polarization angle dependence profile of a standard sample of the measurement sample; a polarization profile matching degree comparison unit that compares the polarization profile matching degree calculated by the polarization profile matching degree calculation unit with a predetermined threshold; a polarization peak half-width acquisition unit that obtains a polarization peak half-width from the polarization Raman spectrum; a polarization peak half-width average value calculation unit that calculates an average value of the polarization peak half-widths obtained by the polarization peak half-width acquisition unit; a polarization peak half-width matching degree calculation unit that calculates a polarization peak half-width matching degree between the average value of the polarization peak half-widths calculated by the polarization peak half-width average value calculation unit and the average value of the polarization peak half-widths of a standard sample of the measurement sample; a polarization peak half-width comparison unit that compares the polarization peak half-width matching degree calculated by the polarization peak half-width matching degree calculation unit with a predetermined threshold; a polarization peak wavenumber acquisition unit that obtains a polarization peak wavenumber from the polarization Raman spectrum; a polarization peak wavenumber average value calculation unit that calculates an average value of the polarization peak wavenumbers obtained by the polarization peak wavenumber acquisition unit; a polarization peak wavenumber matching degree calculation unit that calculates a polarization peak wavenumber matching degree between the average value of the polarization peak wavenumbers calculated by the polarization peak wavenumber average value calculation unit and the average value of the polarization peak wavenumbers of a standard sample of the measurement sample; a polarization peak wavenumber comparison unit that compares the polarization peak wavenumber matching degree calculated by the polarization peak wavenumber matching degree calculation unit with a predetermined threshold; A polarization crystal quality estimation unit that estimates the crystal quality of the measurement sample by determining whether all of the comparison results in the polarization profile matching degree comparison unit, the comparison results in the polarization peak full width at half maximum comparison unit, and the comparison results in the polarization peak wave number comparison unit are each a matching degree equal to or greater than the respective predetermined threshold values. A crystal quality estimation program characterized by causing the above to function. **Claim 2** The computer is further configured to a polarization angle reading unit that reads the initial polarization angle of the Raman laser; a polarized Raman laser irradiation unit that irradiates the measurement sample with a polarized Raman laser that is an incident laser having the initial polarization angle read by the polarization angle reading unit; a polarized Raman spectrum storage unit that stores the polarized Raman spectrum obtained by irradiating the polarized Raman laser by the polarized Raman laser irradiation unit; a polarization angle addition unit that adds a predetermined angle to the polarization angle of the polarized Raman laser irradiated to the measurement sample after the polarized Raman spectrum is stored by the polarized Raman spectrum storage unit; a polarization angle determination unit that determines whether the polarization angle added by the polarization angle addition unit is less than 360°. The crystal quality estimation program according to claim 1, characterized by causing the above to function. **Claim 3** When the crystal quality is estimated to be excellent by the polarization crystal quality estimation unit, the computer is further configured to a rotation peak intensity acquisition unit that acquires a rotation peak intensity from a rotation Raman spectrum obtained by irradiating the measurement sample rotated by a predetermined rotation angle from 0 to 360° with a rotation Raman laser that is an incident laser having a fixed polarization angle; a rotation angle-dependent profile acquisition unit that plots the rotation peak intensity acquired by the rotation peak intensity acquisition unit for each rotation angle and acquires a rotation angle-dependent profile; a rotation profile matching degree calculation unit that calculates the rotation profile matching degree between the rotation angle-dependent profile acquired by the rotation angle-dependent profile acquisition unit and the rotation angle-dependent profile of the standard sample of the measurement sample; a rotation profile matching degree comparison unit that compares the rotation profile matching degree calculated by the rotation profile matching degree calculation unit with a predetermined threshold value; a rotation peak full width at half maximum acquisition unit that acquires the rotation peak full width at half maximum from the rotation Raman spectrum A rotational peak half-value width average value calculation unit that calculates an average value of the rotational peak half-value width obtained by the rotational peak half-value width acquisition unit; A rotational peak half-value width conformity calculation unit that calculates a conformity of the average value of the rotational peak half-value width calculated by the rotational peak half-value width average value calculation unit and the average value of the rotational peak half-value width in the standard sample of the measurement sample; A rotational peak half-value width comparison unit that compares the rotational peak half-value width conformity calculated by the rotational peak half-value width conformity calculation unit with a predetermined threshold; A rotational peak wave number acquisition unit that acquires a rotational peak wave number from the rotational Raman spectrum; A rotational peak wave number average value calculation unit that calculates an average value of the rotational peak wave number obtained by the rotational peak wave number acquisition unit; A rotational peak wave number conformity calculation unit that calculates a conformity of the average value of the rotational peak wave number calculated by the rotational peak wave number average value calculation unit and the average value of the rotational peak wave number in the standard sample of the measurement sample; A rotational peak wave number comparison unit that compares the rotational peak wave number conformity calculated by the rotational peak wave number conformity calculation unit with a predetermined threshold; A rotational crystal quality estimation unit that estimates the crystal quality of the measurement sample by determining whether all of the comparison result in the rotational profile conformity comparison unit, the comparison result in the rotational peak half-value width comparison unit, and the comparison result in the rotational peak wave number comparison unit are each a conformity equal to or greater than the predetermined threshold; The crystal quality estimation program according to claim 1 or 2, which functions as the above.

4. The computer further includes: A rotational angle reading unit that reads an initial rotational angle of a Raman laser; A rotational Raman laser irradiation unit that irradiates the measurement sample with a rotational Raman laser that is an incident laser having the initial rotational angle read by the rotational angle reading unit; A rotational Raman spectrum storage unit that stores the rotational Raman spectrum obtained by the irradiation of the rotational Raman laser by the rotational Raman laser irradiation unit; A rotational angle addition unit that adds a predetermined angle to the rotational angle of the rotational Raman laser irradiated to the measurement sample after the rotational Raman spectrum is stored by the rotational Raman spectrum storage unit; A rotational angle determination unit that determines whether the rotational angle added by the rotational angle addition unit is less than 360°. The crystal quality estimation program according to claim 3, which functions as the above.

5. A crystal quality estimation program for estimating the crystal quality of diamond formed on a seed substrate having a predetermined crystal plane using Raman spectroscopy, wherein the computer is configured to obtain diamond polarized peak intensity from a diamond polarized Raman spectrum obtained by irradiating the diamond with a diamond polarized Raman laser, which is an incident laser whose focus is adjusted to the diamond and whose polarization angle is adjusted to a predetermined polarization angle from 0 to 360°; a diamond polarized peak intensity acquisition unit; a diamond polarization angle-dependent profile acquisition unit that plots the diamond polarization peak intensity obtained by the diamond polarization peak intensity acquisition unit for each polarization angle to obtain a diamond polarization angle-dependent profile; configured to obtain a seed substrate polarization peak intensity from each seed substrate polarization Raman spectrum obtained by irradiating the seed substrate with a seed substrate polarization Raman laser, which is an incident laser whose focus is adjusted to the seed substrate and whose polarization angle is adjusted to a predetermined polarization angle from 0 to 360°; a seed substrate polarization peak intensity acquisition unit; a seed substrate polarization angle-dependent profile acquisition unit that plots the seed substrate polarization peak intensity obtained by the seed substrate polarization peak intensity acquisition unit for each polarization angle to obtain a seed substrate polarization angle-dependent profile; a substrate polarization profile matching degree calculation unit that calculates a substrate rotation profile matching degree between the diamond polarization angle-dependent profile and the seed substrate polarization angle-dependent profile; a substrate polarization profile matching degree comparison unit that compares the substrate rotation profile matching degree calculated by the substrate polarization profile matching degree calculation unit with a predetermined threshold; and a diamond polarization crystal quality estimation unit that estimates the crystal quality of the diamond by determining whether the comparison result in the substrate polarization profile matching degree comparison unit is a matching degree equal to or greater than the predetermined threshold. A crystal quality estimation program characterized by causing the computer to function as the above units. **Claim 6** When it is estimated by the diamond polarization crystal quality estimation unit that the crystal quality is excellent, the computer is further configured to obtain a diamond rotation peak intensity from a diamond rotation Raman spectrum obtained by irradiating the diamond rotated at a predetermined rotation angle from 0 to 360° with a diamond rotation Raman laser, which is an incident laser whose focus is adjusted to the diamond and whose polarization angle is fixed; a diamond rotation peak intensity acquisition unit; A diamond rotation angle-dependent profile acquisition unit that plots the diamond rotation peak intensity obtained by the diamond rotation peak intensity acquisition unit for each rotation angle to obtain a diamond rotation angle-dependent profile; A seed substrate rotation peak intensity acquisition unit that acquires a seed substrate rotation peak intensity from a seed substrate rotation Raman spectrum obtained by irradiating the seed substrate rotated to a predetermined rotation angle from 0 to 360° with an incident laser whose focus is adjusted to the seed substrate and whose polarization angle is fixed; A seed substrate rotation angle-dependent profile acquisition unit that plots the seed substrate rotation peak intensity obtained by the seed substrate rotation peak intensity acquisition unit for each rotation angle to obtain a seed substrate rotation angle-dependent profile; A substrate rotation profile matching degree calculation unit that calculates the substrate rotation profile matching degree between the diamond rotation angle-dependent profile and the seed substrate rotation angle-dependent profile; A substrate rotation profile matching degree comparison unit that compares the substrate rotation profile matching degree calculated by the substrate rotation profile matching degree calculation unit with a predetermined threshold; A diamond rotation crystal quality estimation unit that estimates the crystal quality of the diamond by determining whether the comparison result in the substrate rotation profile matching degree comparison unit is a matching degree equal to or higher than the predetermined threshold The crystal quality estimation program according to claim 5, which functions as.

7. A recording medium characterized by recording the program according to any one of claims 1 to 6.

8. A crystal quality estimation method for estimating the crystal quality of a measurement sample having a predetermined crystal plane using Raman spectroscopy, wherein a computer acquires a polarization peak intensity from a polarization Raman spectrum obtained by irradiating the measurement sample with a polarization Raman laser that is an incident laser adjusted to a predetermined polarization angle from 0 to 360°; plots the polarization peak intensity obtained by the polarization peak intensity acquisition unit for each polarization angle to obtain a polarization angle-dependent profile; calculates the polarization profile matching degree between the polarization angle-dependent profile obtained by the polarization angle-dependent profile acquisition unit and the polarization angle-dependent profile of a standard sample of the measurement sample; compares the polarization profile matching degree calculated by the polarization profile matching degree calculation unit with a predetermined threshold; acquires a polarization peak full width at half maximum from the polarization Raman spectrum, Calculate the average value of the polarization peak full width at half maximum obtained by the polarization peak full width at half maximum acquisition unit. Calculate the degree of coincidence of the polarization peak full width at half maximum between the average value of the polarization peak full width at half maximum calculated by the polarization peak full width at half maximum average value calculation unit and the average value of the polarization peak full width at half maximum in the standard sample of the measurement sample. Compare the degree of coincidence of the polarization peak full width at half maximum calculated by the polarization peak full width at half maximum coincidence degree calculation unit with a predetermined threshold value. Obtain the polarization peak wave number from the polarization Raman spectrum. Calculate the average value of the polarization peak wave number obtained by the polarization peak wave number acquisition unit. Calculate the degree of coincidence of the polarization peak wave number between the average value of the polarization peak wave number calculated by the polarization peak wave number average value calculation unit and the average value of the polarization peak wave number in the standard sample of the measurement sample. Compare the degree of coincidence of the polarization peak wave number calculated by the polarization peak wave number coincidence degree calculation unit with a predetermined threshold value. Determine whether all of the comparison results in the polarization profile coincidence degree comparison unit, the comparison results in the polarization peak full width at half maximum comparison unit, and the comparison results in the polarization peak wave number comparison unit are each only at a coincidence degree equal to or greater than the respective predetermined threshold values. A crystal quality estimation method characterized by the above.

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