X-ray diffraction data processing device and X-ray analysis device

Abstract

A peak two-dimensional detection data extraction unit (211) extracts two-dimensional detection data (peak two-dimensional detection data) of a diffracted X-ray (Xb) having the highest X-ray intensity from two-dimensional detection data of diffracted X-rays (Xb) obtained at a plurality of scanning angles (2 [theta] / [theta]). Next, a peak position specifying unit (212) specifies a position at which the X-ray intensity is maximum (peak position) on the basis of the two-dimensional peak detection data. Then, data processing is performed using position information on the peak position determined by the peak two-dimensional detection data.

Description

Technical Field

[0001] The present invention relates to an X-ray diffraction data processing device and an X-ray analysis device using the same. The X-ray diffraction data processing device is used to process two-dimensional detection data of diffracted X-rays obtained at multiple scanning angles 2θ / θ using an X-ray analysis device. The X-ray analysis device detects diffracted X-rays diffracted by a sample using a two-dimensional X-ray detector. Background Art

[0002] Conventionally, in order to obtain desired analysis results, various adjustments are performed in advance before starting measurement in X-ray analysis apparatuses, which results in a problem that the total time required to obtain measurement data becomes longer.

[0003] For example, in X-ray analysis called rocking curve measurement, as disclosed in Patent Document 1 and Non-Patent Document 1, it is necessary to adjust the shift axis (axis vertical adjustment) before starting the measurement so that a reciprocal lattice point exists on the scattering surface formed by the incident X-ray and the diffracted X-ray. This is because if the reciprocal lattice point is offset from the scattering surface, the position and width of the diffraction peak detected by the two-dimensional X-ray detector will be different from the actual value, so the analysis accuracy may be reduced.

[0004] Prior art literature

[0005] Patent Literature

[0006] Patent Document 1: Japanese Patent Application Publication No. 2010-249784

[0007] Non-patent literature

[0008] Non-patent document 1: Takayuki Konaya, “Third Lecture on the Basics of Thin Film X-ray Measurement Methods: High Resolution X-ray Refraction Methods”, Journal of Physical Science 39(2), 2008, pp. 10-17 Summary of the invention

[0009] Problem that the invention aims to solve

[0010] The present invention has been made in view of the above-mentioned problems of the prior art, and an object of the present invention is to improve the processing contents of measurement data so as to eliminate the need for various adjustments before the start of measurement and thereby shorten the overall time involved in obtaining measurement data.

[0011] Solutions for solving problems

[0012] The X-ray diffraction data processing device of the present invention is used to process two-dimensional detection data, which is two-dimensional detection data of diffracted X-rays obtained by scanning the incident angle θ of the incident X-rays and the angular direction 2θ in which the X-ray detector is arranged at multiple scanning angles 2θ / θ using an X-ray analysis device, wherein the X-ray analysis device irradiates the incident X-rays to a measurement point set on the surface of a sample from the direction of the incident angle θ, and arranges a two-dimensional X-ray detector in the angular direction of 2θ relative to the direction of the incident angle θ, and detects the diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, wherein the X-ray diffraction data processing device is characterized in that it includes: a peak two-dimensional detection data extraction unit that extracts two-dimensional detection data of diffracted X-rays with the maximum X-ray intensity, that is, peak two-dimensional detection data, from the two-dimensional detection data of diffracted X-rays obtained at the multiple scanning angles 2θ / θ; a peak position determination unit that determines the position with the maximum X-ray intensity, that is, the peak position, based on the peak two-dimensional detection data; and a data processing unit that performs data processing using position information about the peak position determined by the peak two-dimensional detection data.

[0013] In addition, in the X-ray diffraction data processing device of the present invention, it is characterized in that the data processing unit includes: an object area setting unit, which sets the object area surrounding the peak position; and a profile generating unit, which accumulates the X-ray intensity in the area corresponding to the object area for each of the two-dimensional detection data of the diffracted X-rays obtained at the multiple scanning angles 2θ / θ, and creates a rocking curve profile based on the X-ray intensity accumulated for each of these two-dimensional detection data.

[0014] In addition, in the X-ray diffraction data processing device of the present invention, it is characterized in that the two-dimensional X-ray detector has a detection surface for detecting diffracted X-rays, and a reference detection point is pre-set on the detection surface. It is configured so that when the surface of the symmetrically reflected sample is irradiated with incident X-rays from the direction of an incident angle θ, the optical axis of the diffracted X-rays appearing from the surface of the sample in the direction of a diffraction angle 2θ is incident on the reference detection point, and the peak position determination unit is a structure for calculating the offset between the peak position recorded in the peak two-dimensional detection data and the reference detection point.

[0015] Here, it is characterized in that the peak position determination unit is configured to obtain the following Δω and Δχ as the offset between the peak position and the reference detection point:

[0016] Δω: offset along the trajectory ω of the reference detection point accompanying 2θ / θ scanning

[0017] Δχ: the offset along the circular arc track χ centered at the reference detection point at the scanning angle 2θ / θ=0°.

[0018] Furthermore, in the X-ray diffraction data processing apparatus of the present invention, the target region setting unit has a function of arbitrarily adjusting a width of the target region surrounding the peak position corresponding to the angular direction of 2θ.

[0019] In addition, in the X-ray diffraction data processing device of the present invention, it is characterized in that the data processing unit includes: a peak shift amount calculation unit, which takes the flat sample as an object, compares the scanning angle 2θ / θ of the peak two-dimensional detection data obtained from multiple measurement points on a straight line set on the surface of the sample, and calculates the shift amount of the scanning angle 2θ / θ; and a curvature radius calculation unit, which calculates the curvature radius of the lattice plane of the sample based on the shift amount of the scanning angle 2θ / θ calculated by the peak shift amount calculation unit.

[0020] Next, the X-ray analysis device of the present invention irradiates incident X-rays from the direction of an incident angle θ to a measuring point set on the surface of a sample, and configures a two-dimensional X-ray detector in an angular direction of 2θ relative to the direction of the incident angle θ, and detects diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, characterized in that it has an X-ray diffraction data processing device with the above structure.

[0021] In addition, the X-ray analysis device of the present invention is characterized in that it comprises: a sample table that can be freely raised and lowered for placing the sample; and a sample table control unit that has at least a function of controlling the height of the sample table, wherein the sample table control unit is a structure that adjusts the height of the sample table based on the peak position of the peak two-dimensional detection data.

[0022] In addition, in the X-ray analysis device of the present invention, it is characterized in that the X-ray diffraction data processing device comprises: a storage unit, which uses the state in which the measurement point set on the surface of the sample is configured at the irradiation point of the incident X-ray as the reference height of the sample, and stores the peak position of the peak two-dimensional detection data obtained by configuring the sample at the reference height, that is, the reference height peak position; and a height offset calculation unit, which compares the peak position in the peak two-dimensional detection data obtained by configuring the sample at an arbitrary height position with the reference height peak position to calculate the position offset between them, calculates the offset of the arbitrary height position relative to the reference height based on the position offset, and the sample stage control unit is a structure that moves the sample configured at the arbitrary height position to the reference height based on the offset of the arbitrary height position calculated by the height offset calculation unit.

[0023] Next, the X-ray diffraction data processing method of the present invention is performed by an X-ray diffraction data processing device, the X-ray diffraction data processing device being used to process two-dimensional detection data, the two-dimensional detection data being two-dimensional detection data of diffracted X-rays obtained by scanning an incident angle θ of an incident X-ray and an angular direction 2θ in which the X-ray detector is arranged at a plurality of scanning angles 2θ / θ in an X-ray analysis device, the X-ray analysis device irradiating a measurement point set on a surface of a sample from a direction of the incident angle θ, and arranging a two-dimensional X-ray detector in an angular direction 2θ relative to the direction of the incident angle θ. A two-dimensional X-ray detector is used to detect the diffracted X-rays diffracted by the sample, wherein the X-ray diffraction data processing method is characterized in that it includes: a peak two-dimensional detection data extraction step, extracting the two-dimensional detection data of the diffracted X-rays with the largest X-ray intensity, namely, the peak two-dimensional detection data, from the two-dimensional detection data of the diffracted X-rays obtained at the multiple scanning angles 2θ / θ; a peak position determination step, determining the position with the largest X-ray intensity, namely, the peak position, according to the peak two-dimensional detection data; and a data processing step, performing data processing using the position information of the peak position determined by the peak two-dimensional detection data.

[0024] In addition, the X-ray diffraction data processing program of the present invention is executed by an X-ray diffraction data processing device, the X-ray diffraction data processing device being used to process two-dimensional detection data, the two-dimensional detection data being two-dimensional detection data of diffracted X-rays obtained by scanning an incident angle θ of an incident X-ray and an angular direction 2θ in which the X-ray detector is arranged in an X-ray analysis device at a plurality of scanning angles 2θ / θ, the X-ray analysis device irradiating a measurement point set on the surface of a sample from a direction of the incident angle θ, and arranging a detector in an angular direction 2θ relative to the direction of the incident angle θ. A two-dimensional X-ray detector is used to detect diffracted X-rays diffracted by the sample, wherein the X-ray diffraction data processing program includes: a peak two-dimensional detection data extraction step, extracting the two-dimensional detection data of the diffracted X-rays with the maximum X-ray intensity, i.e., peak two-dimensional detection data, from the two-dimensional detection data of the diffracted X-rays obtained at the multiple scanning angles 2θ / θ; a peak position determination step, determining the position with the maximum X-ray intensity, i.e., the peak position, based on the peak two-dimensional detection data; and a data processing step, performing data processing using the position information of the peak position determined by the peak two-dimensional detection data. BRIEF DESCRIPTION OF THE DRAWINGS

[0025] Figure 1A This is a schematic diagram showing the operation of the X-ray diffraction apparatus when the rocking curve of a thin film substrate sample is measured. Figure 1B This is a graph showing information of a thin film substrate sample obtained by rocking curve profile analysis.

[0026] Figure 2 It is an overall configuration diagram showing an outline of an X-ray analysis device according to an embodiment of the present invention.

[0027] Figure 3 It is a block diagram showing the functional structure of the X-ray diffraction data processing device according to the embodiment of the present invention.

[0028] Figure 4 This is a diagram for explaining the function of the peak two-dimensional detection data extraction unit.

[0029] Figure 5A This is a front view showing an enlarged two-dimensional image of peak two-dimensional detection data for explaining the function of the peak position identifying unit. Figure 5B This is a front view of a two-dimensional image showing an enlarged view of peak two-dimensional detection data for explaining the function of the target region setting unit.

[0030] Fig. 6A It is a cross-sectional front view depicting the surface and lattice plane of the sample, for explaining the relationship between the position of the diffracted X-ray recorded in the two-dimensional detection data and the surface and lattice plane of the sample. Figure 6B It is the same cutaway stereogram.

[0031] Figure 7 This is a conceptual diagram for explaining the relationship between the position of diffracted X-rays recorded in two-dimensional detection data and the surface and lattice plane of the sample.

[0032] Figure 8 This is a front view showing the offset amount between the detection position of the diffracted X-rays diffracted by the asymmetrically reflected sample and the reference detection point in the two-dimensional image of the two-dimensional detection data.

[0033] Fig. 9 This is a diagram for explaining the function of creating a rocking curve profile by the target region setting unit and the profile generating unit.

[0034] Figure 10-A1 , Figure 10-A2 , Figure 10-B1 , Figure 10-B2 , Figure 10-C1 , Figure 10-C2 Each of them is a diagram for explaining the function of the light receiving slit of the target region setting unit.

[0035] Fig.11 is a flowchart for explaining a method for creating a rocking curve profile.

[0036] Fig. 12A This is a front view of a film substrate sample for explaining the function of the data processing unit for evaluating warpage of the sample. Fig. 12B It is the same cross-sectional front view.

[0037] Fig.13A This is an example of a graph in which the peak values ​​of the intensity of the diffracted X-rays Xb at each measurement point are arranged along the peak angle for explaining the function of the data processing unit for evaluating the warpage of a sample. Fig. 13B This is an example of a graph showing the relationship between the peak angle and the position of each measurement point for explaining the function of the data processing unit for evaluating the warpage of a sample.

[0038] Fig.14 This is a schematic diagram for explaining the function of the data processing unit for sample height adjustment.

[0039] Description of Reference Numerals

[0040] 10: X-ray image; 20: target area; 100: X-ray diffraction device; 101: control unit; 110: sample stage; 120: X-ray source; 121: X-ray irradiation unit; 130: two-dimensional X-ray detector; 140: goniometer; 141: θ arm; 142: 2θ arm; 200: X-ray diffraction data processing device; 201: input and output unit; 202: storage unit; 210: two-dimensional detection data preprocessing unit; 211: peak two-dimensional detection data extraction unit; 212: peak position determination unit; 220: rocking curve profile creation data processing unit; 221: target area setting unit; 222: profile generation unit; 230: sample warpage evaluation data processing unit; 231: peak shift amount calculation unit; 232: curvature radius calculation unit; 240: sample height adjustment data processing unit; 241: peak position offset amount calculation unit; 242: height offset amount calculation unit DETAILED DESCRIPTION

[0041] Hereinafter, embodiments of the present invention will be described in detail with reference to the accompanying drawings.

[0042] In this embodiment, a structural example of applying the present invention in an X-ray analysis device is described. The X-ray analysis device is used to use a thin film substrate such as a semiconductor wafer with a thin film crystal formed on a substrate crystal as a sample, and analyze the film thickness, composition, etc. of the thin film by rocking curve measurement.

[0043] [Outline of rocking curve measurement for thin film substrate samples]

[0044] First, refer to Figure 1A and Figure 1B , an overview of X-ray analysis of thin film substrate samples using rocking curve measurement is described.

[0045] Figure 1A This is a schematic diagram showing the operation of the X-ray diffraction apparatus when performing rocking curve measurement.

[0046] As shown in the figure, the surface of a thin film substrate sample (hereinafter sometimes referred to as sample) S is irradiated with incident X-rays Xa at an incident angle θ, and the diffracted X-rays Xb appearing in the direction of a diffraction angle 2θ relative to the optical axis of the incident X-rays Xa are detected by an X-ray detector 1 (X-ray diffraction measurement).

[0047] In the rocking curve measurement, the X-ray detector 1 is moved in the direction of the diffraction angle 2θ while changing the incident angle θ of the incident X-ray Xa with respect to the surface of the sample S, and X-ray diffraction measurement is repeatedly performed at a plurality of scanning angles 2θ / θ.

[0048] Then, based on the diffracted X-ray intensity obtained at each scanning angle 2θ / θ, a Figure 1B The rocking curve profile is obtained by plotting the detection data obtained by the rocking curve measurement, with the horizontal axis being the scanning angle 2θ / θ and the vertical axis being the diffracted X-ray intensity.

[0049] according to Figure 1B The rocking curve profile, for example, can be used to determine the composition of the material constituting the thin film substrate sample S based on the peak values ​​Pa and Pb of the diffraction X-ray intensity. In addition, the film thickness of the thin film substrate sample S can be determined based on the period L of the amplitude F of the fringes that appear around the peak values.

[0050] [Overview of X-ray Analyzer]

[0051] Figure 2 It is an overall configuration diagram showing an outline of the X-ray analysis device according to the present embodiment.

[0052] The X-ray analysis apparatus is constituted by a combination of an X-ray diffraction apparatus 100 for performing X-ray diffraction measurement to acquire measurement data and an X-ray diffraction data processing apparatus 200 for processing the measurement data acquired by the X-ray diffraction apparatus 100 .

[0053] The operation of the X-ray diffraction device 100 is controlled by a control unit 101. The control unit 101 is constituted by, for example, a computer in which a dedicated control program is installed. In addition, the X-ray diffraction data processing device 200 is also constituted by, for example, a computer in which a dedicated X-ray diffraction data processing program is installed.

[0054] The X-ray diffraction device 100 includes: a sample table 110 for arranging a sample S; an X-ray source 120 and an X-ray irradiation unit 121 for irradiating the surface of the sample S with X-rays; and a two-dimensional X-ray detector 130 for detecting diffracted X-rays Xb diffracted by the sample S.

[0055] The sample stage 110 used in the present embodiment includes a mechanism that can adjust the height position of the sample S by moving at least in the up-down direction (Z direction).

[0056] Here, as described later, the control unit 101 also functions as a sample stage control unit, and controls the height of the sample stage 110 based on the processed data on the height deviation of the sample S output from the X-ray diffraction data processing device 200 .

[0057] In addition, the X-ray irradiation unit 121 includes an X-ray mirror, a monochromator, a collimator for limiting the beam diameter of the monochromated X-rays, etc., which extract only X-rays of a specific wavelength from the X-rays emitted by the X-ray source 120 to monochromatize and collimate them. It should be noted that the X-ray irradiation unit 121 is composed of a combination of various well-known X-ray optical components (for example, a monochromator, a collimator, various slits, etc.) according to the purpose of measurement.

[0058] The two-dimensional X-ray detector 130 has a function of detecting the intensity and incident position of X-rays incident on a detection surface.

[0059] In this embodiment, the X-ray source 120 and the X-ray irradiation unit 121 are mounted on the θ arm 141 of the goniometer 140, and the two-dimensional X-ray detector 130 is mounted on the 2θ arm 142 of the goniometer 140, so that the X-ray source 120, the X-ray irradiation unit 121, and the two-dimensional X-ray detector 130 are rotated while maintaining the relationship of θ-2θ relative to the surface of the horizontally arranged sample S. That is, according to the Bragg law, Figure 2 As shown, when X-rays are irradiated to the surface of the sample S at an incident angle θ, diffracted X-rays Xb appear in a direction of a diffraction angle 2θ relative to the optical axis of the incident X-rays Xa. Therefore, the goniometer 140 drives the θ arm 141 and the 2θ arm 142 in such a manner that the X-ray source 120 and the X-ray irradiation unit 121 are arranged at a position where X-rays are irradiated to a measurement point set on the surface of the sample S from the direction of the incident angle θ, and the two-dimensional X-ray detector 130 is arranged in a direction of a diffraction angle 2θ relative to the optical axis of the incident X-rays Xa.

[0060] It should be noted that the structure can also be as follows: the X-ray source 120 and the X-ray irradiation unit 121 are fixed, the surface of the sample S is tilted by rotating the sample table 110 relative to the incident X-ray Xa, and the surface of the sample S is irradiated with X-rays from the direction of the incident angle θ.

[0061] In this embodiment, the X-ray diffraction device 100 having the above structure is operated to scan the incident angle θ of the incident X-ray Xa and the angle direction 2θ in which the two-dimensional X-ray detector 130 is arranged, and the two-dimensional detection data of the diffracted X-ray Xb are respectively acquired at a plurality of scanning angles 2θ / θ. The two-dimensional detection data of the diffracted X-ray Xb are output from the two-dimensional X-ray detector 130, converted into two-dimensional image data corresponding to the detection surface of the two-dimensional X-ray detector 130, and stored in the X-ray diffraction data processing device 200.

[0062] Therefore, data processing is performed in a state where the two-dimensional detection data is converted into two-dimensional image data corresponding to the detection surface of the two-dimensional X-ray detector 130 .

[0063] [Functional structure of X-ray diffraction data processing device]

[0064] Figure 3 It is a block diagram showing the functional structure of the X-ray diffraction data processing device according to this embodiment.

[0065] Each functional unit shown in the figure is constituted by, for example, the hardware of the above-mentioned computer and a dedicated X-ray diffraction data processing program installed in the computer.

[0066] The X-ray diffraction data processing device 200 includes the following functional units: an input / output unit 201 , a storage unit 202 , a two-dimensional detection data preprocessing unit 210 , and a data processing unit for performing data processing on the two-dimensional detection data according to a purpose.

[0067] The input / output unit 201 is connected to the two-dimensional X-ray detector 130 and the control unit 101 of the X-ray diffraction device 100, and is a functional unit that performs data input and output between these devices. In addition, although not shown in the figure, a display device such as a liquid crystal display and an input device such as a keyboard are also connected to the X-ray diffraction data processing device 200 via the input / output unit 201.

[0068] The storage unit 202 is a functional unit for storing various data. The two-dimensional detection data of the diffracted X-rays Xb output from the two-dimensional X-ray detector 130 of the X-ray diffraction device 100 is stored in the storage unit 202 via the input / output unit 201. In addition, various information required for data processing, such as information related to the X-ray diffraction device 100 and information related to the sample S, is pre-stored in the storage unit 202. Furthermore, data processed by each functional unit of the X-ray diffraction data processing device 200 is also appropriately stored in the storage unit 202.

[0069] Then, each functional unit of the X-ray diffraction data processing device 200 appropriately reads the data stored in the storage unit 202 and executes processing.

[0070] In the present embodiment, the data processing section is constituted by the respective functional sections of a rocking curve profile creation data processing section 220 , a sample warpage evaluation data processing section 230 , and a sample height adjustment data processing section 240 .

[0071] The functions of the two-dimensional detection data preprocessing unit 210 and each data processing unit are described below in detail.

[0072] 〔Preprocessing section of two-dimensional detection data〕

[0073] The two-dimensional detection data preprocessing unit 210 includes functional units of a peak two-dimensional detection data extraction unit 211 and a peak position identification unit 212 .

[0074] The peak two-dimensional detection data extractor 211 extracts two-dimensional detection data (peak two-dimensional detection data) of diffracted X-rays Xb having the maximum X-ray intensity from the two-dimensional detection data of diffracted X-rays Xb obtained at a plurality of scanning angles 2θ / θ.

[0075] Specifically, the peak two-dimensional detection data extractor 211 first reads the two-dimensional detection data (two-dimensional image data) of the diffracted X-ray Xb stored in the storage unit 202 from the storage unit 202, and calculates the total intensity of the X-rays recorded in each of the two-dimensional detection data (total X-ray intensity). Then, the total X-ray intensities of the two-dimensional detection data are compared, and the two-dimensional detection data with the largest total X-ray intensity is extracted as the peak two-dimensional detection data.

[0076] It should be noted that scattered X-rays other than diffracted X-rays Xb from the sample S also enter the detection surface of the two-dimensional X-ray detector 130, but all of these X-rays included in the two-dimensional detection data are included to calculate the total X-ray intensity.

[0077] For example, in Figure 4 In the plurality of two-dimensional detection data (data Nos. 290, 310, 320, 330, and 340) shown, an X-ray image 10 is recorded in each two-dimensional image, and the intensity of the X-ray can be obtained from the color density of the X-ray image 10 and the like.

[0078] Figure 4 The plurality of two-dimensional detection data shown are assumed to be two-dimensional detection data detected at the scanning angle 2θ / θ shown in the figure, and will be described below.

[0079] like Figure 4 As shown in the graph of , if the total X-ray intensity of each two-dimensional detection data is plotted in order of data numbers to create an intensity graph of the diffracted X-ray Xb, it can also be visually extracted as peak two-dimensional detection data.

[0080] exist Figure 4In the example shown, the two-dimensional detection data of data No. 320 has the largest total X-ray intensity recorded in the entire region of the two-dimensional image, and therefore the two-dimensional detection data of data No. 320 is extracted as the peak two-dimensional detection data.

[0081] Next, the peak position identifying unit 212 identifies the position (peak position) where the X-ray intensity is maximum based on the peak two-dimensional detection data.

[0082] For example, in Figure 5A In the two-dimensional image of the peak two-dimensional detection data of data No. 320 shown in the enlarged form, an X-ray image 10 is recorded at a position to the upper right of the center. The position of the X-ray image 10 is determined as the peak position. It should be noted that the method for determining the position is described in detail in FIG. Figure 8 To be described later.

[0083] Here, refer to Figure 6A to Figure 7 The relationship between the position of the diffracted X-ray Xb recorded in the two-dimensional detection data and the surface and lattice plane Sa of the sample S will be described.

[0084] like Fig. 6A As shown in FIG. 1 , when the lattice plane Sa existing inside the sample S is arranged parallel to the surface of the sample S, the incident X-ray Xa is incident on the lattice plane Sa at an angle θa, and the diffracted X-ray Xb is reflected in the symmetrical angle direction (θa), similarly, the diffracted X-ray Xb appears in the angular direction (θa) symmetrical to the incident angle θa of the incident X-ray Xa on the surface of the sample S. This is called symmetrical reflection.

[0085] On the other hand, Figure 6B As shown in FIG. 1 , when the lattice plane Sa existing inside the sample S is arranged obliquely with respect to the surface of the sample S, as shown in FIG. Figure 6C As shown, when the incident X-ray Xa is incident on the lattice plane Sa at an angle θa and the diffracted X-ray Xb is reflected in the symmetrical angle direction (θa), the diffracted X-ray Xb appears in the angle direction (θc) that is asymmetric with respect to the surface of the sample S, between the incident angle (θb) of the incident X-ray Xa and the angle direction (θc) in which the diffracted X-ray Xb appears. This is called asymmetric reflection.

[0086] Typically, the X-ray diffraction device 100 is substantially symmetrically reflective, such as Figure 7 As shown, the structure is as follows: the surface of the sample S is irradiated with incident X-rays Xa from the direction of an incident angle θ, and a two-dimensional X-ray detector 130 is arranged in an angular direction of 2θ relative to the direction of the incident angle θ, and the diffracted X-rays Xb diffracted by the sample S are detected by the two-dimensional X-ray detector 130. Figure 2 The X-ray diffraction apparatus 100 of the present embodiment shown has the same structure.

[0087] It should be noted that if Fig. 6A As shown, the sample S is usually arranged on the sample stage 110 with a horizontal plane as a reference plane and a surface of the sample S being horizontal, but the present invention is not limited thereto.

[0088] The two-dimensional X-ray detector 130 is adjusted so that diffracted X-rays Xb appearing from the surface of the sample S in the direction of the diffraction angle 2θ are incident on a reference detection point P0 (usually the center position) preset on the detection surface.

[0089] Therefore, in the sample S having asymmetric reflections arranged obliquely with the lattice plane Sa and the surface of the sample S, as Figure 7 As shown, the diffracted X-ray Xb is incident on a position P1 that is offset from the reference detection point P0.

[0090] Figure 8 This is a front view showing the offset amount between the detection position of the diffracted X-ray Xb diffracted by the asymmetrically reflected sample S in the two-dimensional image of the two-dimensional detection data and the reference detection point P0.

[0091] In this embodiment, Figure 3 The peak position identifying unit 212 shown identifies the peak position (the position where the X-ray image 10 is stored) recorded in the two-dimensional image of the peak two-dimensional detection data using the offset amounts Δω and Δχ from the reference detection point P0.

[0092] Here, if Figure 7 As shown, Δω is the offset of the trajectory ω drawn by the reference detection point P0 set on the detection surface of the two-dimensional X-ray detector 130 when the X-ray diffraction device 100 performs a 2θ / θ scan. If Δω is simply expressed, it is the offset of the trajectory ω of the reference detection point P0 accompanying the 2θ / θ scan.

[0093] In addition, Δχ is the offset amount along the arc orbit χ centered on position P2 (i.e., the reference detection point P0 when the scanning angle 2θ / θ=0°), and position P2 is the position where the incident X-ray Xa directly enters the detection surface of the two-dimensional X-ray detector 130 when the scanning angle 2θ / θ=0°.

[0094] In addition, in the rocking curve measurement, when the diffracted X-ray Xb is incident on a position offset from the reference detection point P0 of the two-dimensional X-ray detector 130, the position and width of the diffraction peak detected by the two-dimensional X-ray detector 130 are different from the actual values, so the analysis accuracy may be reduced. Therefore, conventionally, the surface of the sample S is tilted (axis vertical adjustment) before the measurement, so that the sample S is tilted around Figure 7 The ω axis and the x axis shown are rotated so that the diffracted X-ray Xb is incident on the reference detection point P0.

[0095] After the axis is adjusted vertically, the incident Figure 8 The diffracted X-ray Xb at the detection position shown is incident on the reference detection point P0, so the diffracted X-ray Xb is detected at a scanning angle 2θ / θ shifted by Δω. Therefore, after the axis vertical adjustment, the two-dimensional detection data (peak two-dimensional detection data) of the diffracted X-ray Xb with the maximum X-ray intensity is also detected at the scanning angle 2θ / θ shifted by Δω.

[0096] Therefore, in the X-ray analysis device of this embodiment that does not perform axis erection adjustment, by processing the scanning angle 2θ / θ for acquiring two-dimensional detection data in consideration of the offset amount Δω, it is possible to perform high-precision data analysis equivalent to that of the X-ray analysis device after axis erection adjustment.

[0097] Furthermore, since the shaft vertical adjustment is not performed, the time associated with obtaining the measurement data can be significantly shortened.

[0098] [Data processing unit for rocking curve profile creation]

[0099] Next, Figure 3 The rocking curve profile creation data processing unit 220 shown in FIG.

[0100] The target region setting unit 221 has a function of setting a target region 20 surrounding a peak position.

[0101] That is, Figure 5B As shown, an X-ray image 10 is recorded in the two-dimensional image of the peak two-dimensional detection data. The position where the X-ray image 10 is recorded is the peak position. The target region setting unit 221 sets a target region 20 of an arbitrary size so as to surround the peak position based on instruction information from the operator input via an input device such as a keyboard.

[0102] In the present embodiment, the target area 20 is determined to have a sector shape centered at the reference detection point P0 (position P2 in the figure) at the scanning angle 2θ / θ=0°, and has a sector width ΔA and a sector length ΔB.

[0103] However, the shape and size of the target area 20 are not limited thereto.

[0104] Next, the profile generating unit 222 accumulates the X-ray intensity in the area corresponding to the target area 20 for each of the two-dimensional detection data of the diffracted X-rays Xb obtained at multiple scanning angles 2θ / θ, and creates a rocking curve profile based on the X-ray intensity accumulated for each of these two-dimensional detection data.

[0105] Fig. 9This is a diagram for explaining the function of creating a rocking curve profile by the target region setting unit and the profile generating unit.

[0106] For example, for Figure 4 First, the target region setting unit 221 sets the target region 20 for the two-dimensional image of the peak two-dimensional detection data (data No. 320). Next, the profile generating unit 222 integrates the X-ray intensity in the target region 20 and plots the integrated X-ray intensity in a graph of the rocking curve profile.

[0107] Here, the scanning angle 2θ / θ of the peak two-dimensional detection data (data No. 320) is 32.0°, but the offset Δω of the peak position is taken into account for the scanning angle 2θ / θ during the measurement, and (2θ / θ)±Δω is used as the scanning angle of the peak two-dimensional detection data (data No. 320). That is, the X-ray intensity of the peak two-dimensional detection data (data No. 320) is plotted for the scanning angle of (2θ / θ)±Δω.

[0108] By performing data processing in this way, it is possible to create a rocking curve profile with high accuracy equivalent to the rocking curve profile after the shaft erection adjustment.

[0109] The target region setting unit 221 also sets the target region 20 at the position corresponding to the target region 20 set in the two-dimensional image of the peak two-dimensional detection data (data No. 320) for the two-dimensional images of the other two-dimensional detection data (data No. 290, 310, 330, 340). Then, the profile generating unit 222 also integrates the X-ray intensity in the target region 20 for each two-dimensional detection data (data No. 290, 310, 330, 340), and plots the integrated X-ray intensity in the graph of the rocking curve profile. At this time, the offset Δω is also considered, and (2θ / θ)±Δω is used as the scanning angle of each two-dimensional detection data (data No. 290, 310, 330, 340).

[0110] For all the two-dimensional detection data obtained by X-ray diffraction measurement, the target area 20 is set according to the above steps, the X-ray intensity in the target area 20 is accumulated, and the accumulated X-ray intensity is plotted in a graph of the rocking curve profile. Fig. 9 The rocking curve profile is shown.

[0111] The peak position offsets Δω and Δχ obtained in the rocking curve profile preparation step are parameters of the surface inclination relative to the lattice plane, and these values ​​themselves can be fully utilized in the evaluation of the single crystal substrate.

[0112] Single crystal substrates include gallium arsenide (GaAs) substrates and silicon carbide (SiC) substrates that are cut so that a specific lattice plane has a predetermined inclination angle relative to the surface. Conventionally, for these single crystal substrates, steps of performing ω scanning at each scanning angle 2θ / θ to obtain Δω and performing χ scanning to obtain Δχ are repeated.

[0113] On the other hand, in the X-ray diffraction data processing apparatus of the present embodiment, if only 2θ / θ scanning is performed, Δω and Δχ are also obtained in the process of preparing the rocking curve, so the offset amount can be evaluated quickly.

[0114] Figure 10-A1 to Figure 10-C2 It is a diagram for explaining the function of the light receiving slit of the target region setting unit.

[0115] The target region setting unit 221 has a light receiving slit function for arbitrarily adjusting the width of the target region 20 surrounding the peak position corresponding to the direction of the scanning angle 2θ.

[0116] like Figure 5B As shown in FIG. 1 , increasing or decreasing the width ΔA of the target region 20 set as a fan shaped with the reference detection point P0 (position P2 in the figure) as the center is equivalent to increasing or decreasing the width in the direction of the scanning angle 2θ. Moreover, the target region 20 set in the two-dimensional image of the two-dimensional detection data has the function of limiting the X-rays that are the objects of calculating the X-ray intensity, similarly to the light receiving slit arranged in front of the two-dimensional X-ray detector 130 in the X-ray diffraction device 100, and increasing or decreasing the width ΔA of the target region 20 has the same effect as increasing or decreasing the width of the light receiving slit.

[0117] For example, Figure 10-A1 As shown, when the target area 20 is set to a relatively wide width ΔA1, Figure 10-A2 The low-resolution rocking curve profile shown in Figure 10-B1 As shown in FIG. 1 , if the target area 20 is set to a narrow width ΔA2, then Figure 10-B2 As shown, a rocking curve profile with improved resolution is produced. Figure 10-C1 As shown in FIG. 1 , if the target area 20 is set to a narrower width ΔA3, then Figure 10-C2 As shown, it is possible to produce a rocking curve profile with further improved resolution.

[0118] In this way, by narrowing the width of the target region 20 within the range including the diffracted X-rays Xb reflected from the sample S, it is possible to obtain a high resolution equivalent to that obtained by narrowing the width of the light receiving slit.

[0119] It should be noted that by arbitrarily adjusting the length ΔB of the target region 20 (the length corresponding to the direction perpendicular to the width in the scanning angle 2θ direction), it is possible to achieve the same function as the light receiving longitudinal limiting slit.

[0120] [Swing curve profile production method]

[0121] Next, refer to Fig.11 , a method for making a rocking curve profile is described.

[0122] first, Figure 2 The control unit 101 shown controls each component of the X-ray diffraction device 100, scans the incident angle θ of the incident X-ray Xa and the angle direction 2θ in which the two-dimensional X-ray detector 130 is arranged on the sample S, and obtains two-dimensional detection data of the diffracted X-ray Xb at a plurality of scanning angles 2θ / θ. The two-dimensional detection data of the diffracted X-ray Xb is output from the two-dimensional X-ray detector 130, converted into two-dimensional image data corresponding to the detection surface of the two-dimensional X-ray detector 130, and stored in the storage unit 202 of the X-ray diffraction data processing device 200 (step S1).

[0123] In the rocking curve profile preparation method of this embodiment, two-dimensional detection data of diffracted X-rays Xb can be sequentially acquired at a plurality of scanning angles 2θ / θ without performing axis erection adjustment, thereby significantly shortening the measurement time required to acquire the two-dimensional detection data.

[0124] The X-ray diffraction data processing device 200 executes the rocking curve profile creation process according to the following steps based on a dedicated X-ray diffraction data processing program.

[0125] First, the peak two-dimensional detection data extractor 211 reads the two-dimensional detection data of the diffracted X-ray Xb acquired at a plurality of scanning angles 2θ / θ from the storage unit 202, and calculates the total intensity of the X-ray recorded in each of the two-dimensional detection data (total X-ray intensity). Then, the total X-ray intensities of the two-dimensional detection data are compared, and the two-dimensional detection data with the largest total X-ray intensity is extracted as the peak two-dimensional detection data (step S2).

[0126] exist Figure 4 In the example shown, the two-dimensional detection data of data No. 320 has the largest total X-ray intensity recorded in the entire region of the two-dimensional image, and therefore the two-dimensional detection data of data No. 320 is extracted as the peak two-dimensional detection data.

[0127] Next, the peak position determination unit 212 determines the position (peak position) where the X-ray intensity is the highest based on the peak two-dimensional detection data (step S3). In the present embodiment, as described above, the peak position (the position where the X-ray image 10 is stored) of the two-dimensional image recorded in the peak two-dimensional detection data is determined by the offsets Δω and Δχ from the reference detection point P0 (see Figure 8 ).

[0128] Next, the target region setting unit 221 sets a target region 20 (see FIG. 20 ) of an arbitrary size so as to surround the peak position based on instruction information from the operator input via an input device such as a keyboard. Figure 5B , step S4).

[0129] Then, the profile generator 222 integrates the X-ray intensity in the region corresponding to the target region 20 for each of the two-dimensional detection data of the diffracted X-ray Xb obtained at the plurality of scanning angles 2θ / θ, and creates a rocking curve profile based on the X-ray intensity integrated for each of the two-dimensional detection data (see Fig. 9 , step S5). The specific processing at this time is as described above, and the offset Δω is taken into account for the scanning angle 2θ / θ during measurement, and (2θ / θ)±Δω is used as the scanning angle of the two-dimensional detection data.

[0130] [Data processing unit for evaluating the warpage of samples]

[0131] Next, refer to Figures 12A to 13B right Figure 3 The warpage evaluation of the sample shown will be described using the data processing unit 230.

[0132] The data processing unit 230 for evaluating the warpage of the sample includes a peak shift amount calculation unit 231 and a curvature radius calculation unit 232 (see Figure 3 ).

[0133] like Fig. 12A As shown, the operator sets a plurality of measurement points X1 to X9 linearly on the surface of the film substrate sample S, and performs rocking curve measurement on these plurality of measurement points.

[0134] The two-dimensional detection data of each scanning angle 2θ / θ acquired by the rocking curve measurement for the measurement point is stored in the storage unit 202. Furthermore, the peak two-dimensional detection data extraction unit 211 extracts the two-dimensional detection data (peak two-dimensional detection data) of the diffracted X-ray Xb having the maximum X-ray intensity from these two-dimensional detection data.

[0135] The peak shift amount calculation unit 231 compares the scanning angles 2θ / θ of the peak two-dimensional detection data acquired for each of the measurement points X1 to X9 , and obtains the shift amount of the scanning angle 2θ / θ.

[0136] That is, when the film substrate sample S is warped, for example Fig. 12B As shown, the lattice plane Sa is tilted, and the angular direction at which the diffracted X-ray Xb appears changes.

[0137] Therefore, the scanning angle 2θ / θ of the peak two-dimensional detection data is shifted according to the inclination (that is, the angle of warping) of the lattice plane Sa.

[0138] The peak shift amount calculation unit 231 compares the scanning angles 2θ / θ (hereinafter sometimes abbreviated as peak angle) of the peak two-dimensional detection data at the respective measurement points X1 to X9 and calculates the shift amounts thereof.

[0139] Fig.13A This is an example of a graph showing the peak values ​​of the diffracted X-ray Xb intensity at each measurement point arranged along the peak angle. Fig. 13B This is an example of a graph showing the relationship between the peak angle and the position of each measurement point.

[0140] If the film substrate sample S is warped, for example Fig.13A As shown in FIG. , the peak angle of the peak value of the diffracted X-ray Xb intensity at each measurement point is shifted laterally. Fig. 13B As shown, the peak angle shifts linearly with respect to each measurement point.

[0141] The curvature radius calculation unit 232 calculates the curvature radius of the lattice plane of the thin film substrate sample S based on the shift amount of the peak angle calculated by the peak shift amount calculation unit 231. Fig. 13B The radius of curvature of the lattice plane of the thin film substrate sample S was calculated from the inclination (b / a) of the straight line shown in the graph.

[0142] [Data processing unit for sample height adjustment and sample stage control unit]

[0143] Next, Figure 3 The sample height adjustment data processing unit 240 and Figure 2 The function of the control unit 101 shown as a sample stage control unit will be described.

[0144] return Figure 3 The storage unit 202 stores in advance the reference height position of the surface where the sample S should be placed in the X-ray diffraction apparatus 100. Usually, the reference height position is set to the height of the rotation center of the goniometer 140. Furthermore, the storage unit 202 stores in advance the peak position of the peak two-dimensional detection data when the surface of the sample S is at the reference height position.

[0145] The operator performs the rocking curve determination.

[0146] The two-dimensional detection data of each scanning angle 2θ / θ acquired by the rocking curve measurement is stored in the storage unit 202. Furthermore, the peak two-dimensional detection data extraction unit 211 extracts the two-dimensional detection data (peak two-dimensional detection data) of the diffracted X-ray Xb with the maximum X-ray intensity from these two-dimensional detection data. Next, the peak position determination unit 212 determines the position (peak position) with the maximum X-ray intensity in the peak two-dimensional detection data.

[0147] Fig.14 It is a schematic diagram showing the relationship between the change in the height of the sample S and the shift amount of the peak position in the peak two-dimensional detection data.

[0148] Assume that the surface height of the sample S during the rocking curve measurement is, for example, Fig.14 H1, the peak position of the peak two-dimensional detection data obtained by the rocking curve measurement is at the position P1 on the detection surface of the two-dimensional X-ray detector 130.

[0149] On the other hand, the reference height position is, for example, Fig.14 H0, and the peak position of the peak two-dimensional detection data when the surface of the sample S is at the reference height position H0 is at position P0 on the detection surface of the two-dimensional X-ray detector 130.

[0150] like Figure 3 As shown, the sample height adjustment data processing unit 240 of the X-ray diffraction data processing device 200 includes functional units of a peak position offset amount calculation unit 241 and a height shift amount calculation unit 242 .

[0151] The peak position offset calculation unit 241 obtains an offset D of the peak position d1 of the peak two-dimensional detection data acquired by the rocking curve measurement with respect to the peak position d0 of the peak two-dimensional detection data when the surface of the sample S is at the reference height position H0.

[0152] exist Fig.14 In the above, if the incident angle θ1 of the incident X-ray Xa with respect to the surface of the sample S, the diffraction angle θ2 of the diffracted X-ray Xb with respect to the surface of the sample S, and the above-mentioned offset D are known, then the offset (height offset) Z of the surface height H1 of the sample S relative to the reference height position H0 during the rocking curve measurement can be calculated according to the following formula (1). This calculation process is performed by the height offset calculation unit 242.

[0153] [Formula 1]

[0154]

[0155] Figure 2 The control unit 101 shown also functions as a sample stage control unit that controls the height of the sample stage 110 .

[0156] That is, the control unit 101 performs movement adjustment based on the height deviation amount Z calculated by the height deviation amount calculation unit 242 so that the surface height of the sample S becomes the reference height.

[0157] Since the height shift amount Z can be calculated from the offset amount D of the peak position, the control unit 101 adjusts the height of the sample stage 110 based on the peak position of the two-dimensional detection data about the peak.

[0158] It should be noted that the present invention is not limited to the above-mentioned embodiments.

[0159] In the above embodiment, a configuration example of applying the present invention to an X-ray analyzer for analyzing the composition and thickness of a thin film by rocking curve measurement using a thin film substrate as a sample S has been described, but the application of the present invention is of course not limited to this.

[0160] For example, the present invention can also be applied to X-ray analysis other than thin film substrate sample S. In addition, the invention of technical solution 1 for performing data processing using position information of peak positions determined for peak two-dimensional detection data, the invention of technical solution 6 related to evaluation of warpage of sample S, and the invention of technical solution 8 related to height adjustment of sample S can all be applied to X-ray analysis devices that perform measurements other than rocking curve measurement.

Claims

1. An X-ray diffraction data processing device for processing two-dimensional detection data, wherein the two-dimensional detection data is two-dimensional detection data of diffracted X-rays obtained by scanning an incident angle θ of an incident X-ray and an angular direction 2θ in which the X-ray detector is arranged using an X-ray analysis device at a plurality of scanning angles 2θ / θ, wherein the X-ray analysis device irradiates a measurement point set on a surface of a sample from the direction of the incident angle θ, and arranges a two-dimensional X-ray detector in an angular direction of 2θ relative to the direction of the incident angle θ, and detects the diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, wherein: The X-ray diffraction data processing device is characterized by comprising: a peak two-dimensional detection data extracting unit that extracts two-dimensional detection data of diffracted X-rays having the maximum X-ray intensity, that is, peak two-dimensional detection data, from the two-dimensional detection data of diffracted X-rays obtained at the plurality of scanning angles 2θ / θ; a peak position determination unit, which determines the position where the X-ray intensity is the largest, that is, the peak position, based on the peak two-dimensional detection data; and The data processing section performs data processing using position information of the peak position determined with respect to the peak two-dimensional detection data.

2. The X-ray diffraction data processing device according to claim 1, characterized in that: The data processing unit includes: a target region setting unit that sets a target region surrounding the peak position; and The profile generating unit accumulates the X-ray intensity in the region corresponding to the target region for each of the two-dimensional detection data of the diffracted X-rays obtained at the plurality of scanning angles 2θ / θ, and creates a rocking curve profile based on the X-ray intensity accumulated for each of the two-dimensional detection data.

3. The X-ray diffraction data processing device according to claim 1, characterized in that: The two-dimensional X-ray detector has a detection surface for detecting diffracted X-rays, and a reference detection point is pre-set on the detection surface. The two-dimensional X-ray detector is configured so that when incident X-rays are irradiated from the direction of an incident angle θ onto the surface of a symmetrically reflecting sample, an optical axis of diffracted X-rays appearing from the surface of the sample in the direction of a diffraction angle 2θ is incident on the reference detection point. The peak position determination unit is configured to obtain an offset amount between the peak position recorded in the peak two-dimensional detection data and the reference detection point.

4. The X-ray diffraction data processing device according to claim 3, characterized in that: The peak position determination unit is configured to obtain the following Δω and Δχ as the offset between the peak position and the reference detection point: Δω: offset along the trajectory ω of the reference detection point accompanying 2θ / θ scanning Δχ: offset along the circular arc track χ centered at the reference detection point at a scanning angle of 2θ / θ=0°.

5. The X-ray diffraction data processing device according to claim 2, characterized in that: The target region setting unit has a function of arbitrarily adjusting the width of the target region surrounding the peak position corresponding to the angular direction of 2θ.

6. The X-ray diffraction data processing device according to claim 1, characterized in that: The data processing unit includes: a peak shift amount calculation unit that compares the scanning angle 2θ / θ of the peak two-dimensional detection data acquired at a plurality of measurement points on a straight line set on the surface of the flat sample as an object, and obtains a shift amount of the scanning angle 2θ / θ; and The curvature radius calculation unit calculates the curvature radius of the lattice plane of the sample based on the shift amount of the scanning angle 2θ / θ obtained by the peak shift amount calculation unit.

7. An X-ray analysis device, which irradiates a measurement point set on the surface of a sample with incident X-rays from a direction of an incident angle θ, and arranges a two-dimensional X-ray detector in an angular direction of 2θ relative to the direction of the incident angle θ, and detects diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, wherein: The X-ray analysis device is characterized in that A device comprising the X-ray diffraction data processing device according to any one of claims 1 to 6.

8. The X-ray analysis device according to claim 7, characterized in that: have: A sample table for placing the sample and capable of being raised and lowered freely; and The sample stage control unit has at least a function of controlling the height of the sample stage. The sample stage control unit is configured to adjust the height of the sample stage based on the peak position of the peak two-dimensional detection data.

9. An X-ray diffraction data processing method, performed by an X-ray diffraction data processing device, the X-ray diffraction data processing device being used to process two-dimensional detection data, the two-dimensional detection data being two-dimensional detection data of diffracted X-rays obtained by scanning an incident angle θ of an incident X-ray and an angular direction 2θ in which the X-ray detector is arranged in an X-ray analysis device at a plurality of scanning angles 2θ / θ, the X-ray analysis device irradiating a measurement point set on a surface of a sample from the direction of the incident angle θ, and arranging a two-dimensional X-ray detector in an angular direction of 2θ relative to the direction of the incident angle θ, and detecting the diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, wherein: The X-ray diffraction data processing method is characterized by comprising: a peak two-dimensional detection data extraction step of extracting the two-dimensional detection data of the diffracted X-rays with the maximum X-ray intensity, i.e., the peak two-dimensional detection data, from the two-dimensional detection data of the diffracted X-rays obtained at the plurality of scanning angles 2θ / θ; a peak position determination step, determining the position where the X-ray intensity is the largest, that is, the peak position, based on the peak two-dimensional detection data; and A data processing step is performed using position information of the peak position determined with respect to the peak two-dimensional detection data.

10. An X-ray diffraction data processing program executed by an X-ray diffraction data processing device, the X-ray diffraction data processing device being used to process two-dimensional detection data, the two-dimensional detection data being two-dimensional detection data of diffracted X-rays obtained by scanning an incident angle θ of an incident X-ray and an angular direction 2θ in which the X-ray detector is arranged in an X-ray analysis device at a plurality of scanning angles 2θ / θ, the X-ray analysis device irradiating a measurement point set on a surface of a sample from the direction of the incident angle θ, and arranging a two-dimensional X-ray detector in an angular direction of 2θ relative to the direction of the incident angle θ, and detecting the diffracted X-rays diffracted by the sample by the two-dimensional X-ray detector, wherein: The X-ray diffraction data processing program is characterized by comprising: a peak two-dimensional detection data extraction step of extracting the two-dimensional detection data of the diffracted X-rays with the maximum X-ray intensity, i.e., the peak two-dimensional detection data, from the two-dimensional detection data of the diffracted X-rays obtained at the plurality of scanning angles 2θ / θ; a peak position determination step, determining the position where the X-ray intensity is the largest, that is, the peak position, based on the peak two-dimensional detection data; and A data processing step is performed using position information of the peak position determined with respect to the peak two-dimensional detection data.

Images