Method, device and equipment for determining intrinsic band gap of thin film dielectric material
By using ellipsometry measurement and Gaussian function peak fitting, the problem of large measurement error in the bandgap of thin film dielectric materials was solved, and accurate intrinsic bandgap measurement was achieved.
Patent Information
- Application Number
- CN202311010723.5
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2023-08-11
- Publication Date
- 2026-08-25
- Estimated Expiration
- 2043-08-11
AI Technical Summary
In existing technologies, the measurement results of the bandgap width of thin film dielectric materials are easily affected by structural defects and electronic defects, resulting in large measurement errors and low accuracy.
By performing ellipsometry measurements on thin film dielectric materials, ellipsometry simulation parameters are generated. The spectral absorption and dispersion curves are iteratively fitted, Gaussian function peak fitting is performed, and the fitted Gaussian function parameters of characteristic absorption peaks and reference dispersion curves are extracted. Normalization and linear extrapolation are then performed to determine the intrinsic bandgap.
It effectively eliminates interference from structural and electronic defects, accurately measures the intrinsic bandgap of thin film dielectric materials, and improves measurement accuracy.
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Figure CN116879183B_ABST
Abstract
Description
Technical Field
[0001] This application relates to the field of bandgap measurement technology for thin film dielectric materials, and more specifically, to a method, apparatus, and equipment for determining the intrinsic bandgap of thin film dielectric materials. Background Technology
[0002] Thin-film dielectric materials are widely used in optoelectronics, microelectronics, and new energy fields. Depending on the combination of these materials, various optical thin-film devices with specific functions can be formed. The intrinsic bandgap, as an inherent characteristic parameter of thin-film dielectric materials, is one of the main optoelectronic parameters characterizing material properties. It reflects the electronic structure of molecules or atoms and the morphology of electronic absorption transition levels, thus influencing the physicochemical properties of thin-film dielectric materials at the microscopic electronic structure level. Therefore, accurately measuring the intrinsic bandgap of thin-film dielectric materials is of great significance.
[0003] Currently, ellipticity measurement is the primary method used to measure the bandgap of thin-film dielectric materials. Common ellipticity measurement methods include direct measurement using the Tauc-Lorentz and Cody-Lorentz optical models, dielectric function interpolation, and Tauc plotting interpolation.
[0004] The aforementioned methods for measuring the bandgap of thin-film dielectric materials are susceptible to the influence of inherent structural and electronic defects in the material. This results in measurements that fail to accurately characterize the intrinsic bandgap related to the material's molecular structure, instead representing the optical or absorption bandgap incorporating various defects. Furthermore, the measurements are sensitive to the absorption spectra formed by band tails near the absorption edges, leading to significant deviations and low accuracy in the measured bandgap values. Summary of the Invention
[0005] The purpose of this application is to address the shortcomings of the prior art by providing a method, apparatus, and device for determining the intrinsic bandgap of thin film dielectric materials, thereby solving the problem of large errors and low accuracy in the measurement of the intrinsic bandgap of thin film dielectric materials in the prior art.
[0006] To achieve the above objectives, the technical solutions adopted in the embodiments of this application are as follows:
[0007] In a first aspect, one embodiment of this application provides a method for determining the intrinsic bandgap of a thin-film dielectric material, the method comprising:
[0008] Ellipsometry is performed on the single-crystal or polycrystalline thin-film dielectric material to be measured to obtain ellipsometry parameters;
[0009] Based on the pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured, elliptic simulation parameters are generated, wherein the measurement model is constructed by adding an oscillator to the original measurement model;
[0010] Based on the ellipticity measurement parameters and the ellipticity simulation parameters, a spectral absorption and dispersion curve is generated through iteration and fitting. The spectral absorption and dispersion curve is used to characterize the change of optical absorption of the thin film dielectric material with spectral energy. The change includes: electronic energy level transitions of the thin film material, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of the thin film material. Among them, thin film anomalies include: thin film defects and thin film impurities.
[0011] Based on the spectral absorption and dispersion curve, Gaussian function peak fitting is performed to decompose the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the absorption information with physical meaning in the spectral absorption and dispersion curve. According to the several peak Gaussian functions after decomposition, the corresponding peak fitting Gaussian function parameters and reference dispersion curve are obtained.
[0012] Based on the peak fitting Gaussian function parameters and the reference dispersion curve, the target fitting Gaussian function parameters and the target reference dispersion curve corresponding to the characteristic absorption peaks of the thin film dielectric material are extracted, normalized, and subjected to linear extrapolation to determine the intrinsic bandgap of the single-crystal or polycrystalline thin film dielectric material to be measured.
[0013] As one possible implementation, the generation of ellipticity simulation parameters based on a pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured includes:
[0014] The optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are read from the measurement model;
[0015] Based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, ellipticity simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are generated.
[0016] As one possible implementation, generating the spectral absorption and dispersion curve by iterating and fitting the ellipticity measurement parameters and the ellipticity simulation parameters includes:
[0017] The minimum root mean square error of the fit of the elliptic measurement parameters and the elliptic simulation parameters is determined iteratively.
[0018] If the difference between the minimum root mean square errors obtained from multiple consecutive iterations is less than a preset threshold, then the spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration.
[0019] Otherwise, the measurement model is corrected based on the minimum root mean square error of the fit, and the minimum root mean square error of the fit is re-determined based on the elliptic simulation parameters obtained from the corrected measurement model and the elliptic measurement parameters, until the minimum root mean square error of the fit is less than the preset threshold.
[0020] As one possible implementation, generating the spectral absorption and dispersion curve based on the measurement model used in the most recent iteration includes:
[0021] Based on the measurement model used in the most recent iteration, the mapping relationship between the optical absorption parameters and energy in the elliptic simulation parameters is obtained;
[0022] The spectral absorption and dispersion curves are generated based on the mapping relationship between the optical absorption parameters and energy.
[0023] As one possible implementation, the Gaussian function peak fitting process based on the spectral absorption and dispersion curve decomposes the spectral absorption and dispersion curve into several peak-separated Gaussian functions. Based on these decomposed peak-separated Gaussian functions, the corresponding peak-separated fitting Gaussian function parameters and a reference dispersion curve are obtained, including:
[0024] Based on the spectral absorption and dispersion curve, determine the initial parameters of the Gaussian function;
[0025] According to the preset iteration step size, the initial parameters of the Gaussian function are iteratively adjusted to obtain several peak-splitting Gaussian functions;
[0026] Based on the aforementioned peak-separated Gaussian functions, corresponding peak-separated fitting Gaussian function parameters and reference dispersion curves are generated.
[0027] As one possible implementation, the step of extracting the target fitted Gaussian function parameters and the target reference dispersion curve corresponding to the characteristic absorption peaks of the thin film dielectric material based on the peak fitting Gaussian function parameters and the reference dispersion curve, and then normalizing and performing linear extrapolation to determine the intrinsic bandgap of the single-crystal or polycrystalline thin film dielectric material to be measured includes:
[0028] The target reference dispersion curve is determined based on the peak energy position of the characteristic absorption peak in the reference dispersion curve.
[0029] Obtain the target fitting Gaussian function parameters corresponding to the target reference dispersion curve;
[0030] Normalize the parameters of the Gaussian function fitted to the target and the target reference dispersion curve;
[0031] Draw a straight line passing through the first point on the target reference dispersion curve corresponding to the first endpoint and the second point on the target reference dispersion curve corresponding to the second endpoint;
[0032] Determine the intersection point of the straight line on the horizontal axis of the coordinate system containing the target reference dispersion curve;
[0033] The energy value corresponding to the intersection point is used as the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0034] Secondly, another embodiment of this application provides a device for determining the intrinsic bandgap width of a thin-film dielectric material, the device comprising:
[0035] The first parameter determination module is used to perform ellipticity measurement on the single-crystal or polycrystalline thin film dielectric material to be measured, and obtain the ellipticity measurement parameters.
[0036] The second parameter determination module is used to generate elliptic simulation parameters based on the pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured, wherein the measurement model is constructed by adding an oscillator to the original measurement model;
[0037] The generation module is used to generate a spectral absorption and dispersion curve based on the ellipticity measurement parameters and the ellipticity simulation parameters through iteration and fitting. The spectral absorption and dispersion curve is used to characterize the change of optical absorption of the thin film dielectric material with spectral energy. The change includes: electronic energy level transitions of the thin film material, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of the thin film material. Among them, thin film anomalies include: thin film defects and thin film impurities.
[0038] The decomposition module is used to perform Gaussian function peak fitting processing based on the spectral absorption and dispersion curve, decomposing the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the absorption information with physical meaning in the spectral absorption and dispersion curve, and obtaining the corresponding peak fitting Gaussian function parameters and reference dispersion curve based on the decomposed several peak Gaussian functions.
[0039] The determination module is used to extract the target fitted Gaussian function parameters and target reference dispersion curve corresponding to the characteristic absorption peaks of the thin film dielectric material based on the peak fitting Gaussian function parameters and reference dispersion curve, and perform normalization and linear extrapolation to determine the intrinsic bandgap of the single crystal or polycrystalline thin film dielectric material to be measured.
[0040] As one possible implementation, the second parameter determining module is specifically used for:
[0041] The optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are read from the measurement model;
[0042] Based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, ellipticity simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are generated.
[0043] As one possible implementation, the generation module is specifically used for:
[0044] The minimum root mean square error of the fit of the elliptic measurement parameters and the elliptic simulation parameters is determined iteratively.
[0045] If the difference between the minimum root mean square errors obtained from multiple consecutive iterations is less than a preset threshold, then the spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration.
[0046] Otherwise, the measurement model is corrected based on the minimum root mean square error of the fit, and the minimum root mean square error of the fit is re-determined based on the elliptic simulation parameters obtained from the corrected measurement model and the elliptic measurement parameters, until the minimum root mean square error of the fit is less than the preset threshold.
[0047] As one possible implementation, the generation module is specifically used for:
[0048] Based on the measurement model used in the most recent iteration, the mapping relationship between the optical absorption parameters and energy in the elliptic simulation parameters is obtained;
[0049] The spectral absorption and dispersion curves are generated based on the mapping relationship between the optical absorption parameters and energy.
[0050] As one possible implementation, the decomposition module is specifically used for:
[0051] Based on the spectral absorption and dispersion curve, determine the initial parameters of the Gaussian function;
[0052] According to the preset iteration step size, the initial parameters of the Gaussian function are iteratively adjusted to obtain several peak-splitting Gaussian functions;
[0053] Based on the aforementioned peak-separated Gaussian functions, corresponding peak-separated fitting Gaussian function parameters and reference dispersion curves are generated.
[0054] As one possible implementation, the determining module is specifically used for:
[0055] The target reference dispersion curve is determined based on the peak energy position of the characteristic absorption peak in the reference dispersion curve.
[0056] Obtain the target fitting Gaussian function parameters corresponding to the target reference dispersion curve;
[0057] Normalize the parameters of the Gaussian function fitted to the target and the target reference dispersion curve;
[0058] Draw a straight line passing through the first point on the target reference dispersion curve corresponding to the first endpoint and the second point on the target reference dispersion curve corresponding to the second endpoint;
[0059] Determine the intersection point of the straight line on the horizontal axis of the coordinate system containing the target reference dispersion curve;
[0060] The energy value corresponding to the intersection point is used as the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0061] Thirdly, another embodiment of this application provides an electronic device, including: a processor, a storage medium, and a bus, wherein the storage medium stores machine-readable instructions executable by the processor, and when the electronic device is running, the processor communicates with the storage medium via the bus, and the processor executes the machine-readable instructions to perform the steps of any of the methods described in the first aspect above.
[0062] Fourthly, another embodiment of this application provides a storage medium storing a computer program, which, when executed by a processor, performs the steps of any of the methods described in the first aspect above.
[0063] The beneficial effects of this application are as follows: The spectral absorption curves of the single-crystal or polycrystalline thin-film dielectric materials in the above embodiments of this application have characteristic absorption peaks related to the crystallization structure. These characteristic absorption peaks are generated by the splitting of electronic energy levels caused by the crystal field within the single-crystal or polycrystalline thin-film dielectric material, and are unrelated to material defect absorption, but only related to the electronic structure of the material molecules. By fitting the spectral absorption dispersion curve and Gaussian function peaks, a fitting Gaussian function characterizing the physical information of the single-crystal or polycrystalline thin-film dielectric material can be obtained, thereby determining the target fitting Gaussian function parameters and the target reference dispersion curve. Based on this, the target fitting Gaussian function parameters and the target reference dispersion curve are normalized and linearly extrapolated to determine the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured. Attached Figure Description
[0064] To more clearly illustrate the technical solutions of the embodiments of this application, the accompanying drawings used in the embodiments will be briefly introduced below. It should be understood that the following drawings only show some embodiments of this application and should not be regarded as a limitation of the scope. For those skilled in the art, other related drawings can be obtained based on these drawings without creative effort.
[0065] Figure 1 A flowchart illustrating the method for determining the intrinsic bandgap of a thin-film dielectric material provided in this application embodiment;
[0066] Figure 2A flowchart illustrating the method for determining ellipticity simulation parameters in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application;
[0067] Figure 3 A flowchart illustrating the method for determining the minimum root mean square error of the fit in the method for determining the intrinsic bandgap of the thin film dielectric material provided in the embodiments of this application;
[0068] Figure 4(a) is a flowchart illustrating the method for determining the spectral absorption and dispersion curve in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application.
[0069] Figure 4(b) is a schematic diagram of the extinction coefficient absorption and dispersion curves of monolayer HfO2 thin film sample 1 and monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application.
[0070] Figure 5(a) is a flowchart illustrating the method for determining the peak-splitting Gaussian function in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application;
[0071] Figure 5(b) is a schematic diagram of several reference dispersion curves of monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application;
[0072] Figure 6(a) is a flowchart illustrating the intrinsic bandgap determination method provided in the embodiment of this application for determining the intrinsic bandgap of a thin film dielectric material.
[0073] Figure 6(b) is a schematic diagram of the target reference dispersion curve of monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application;
[0074] Figure 7 A schematic diagram of the structure of the device for determining the intrinsic bandgap width of a thin film dielectric material provided in the embodiments of this application;
[0075] Figure 8 This is a schematic diagram of an electronic device provided in an embodiment of this application. Detailed Implementation
[0076] To make the objectives, technical solutions, and advantages of the embodiments of this application clearer, the technical solutions of the embodiments of this application will be clearly and completely described below with reference to the accompanying drawings. It should be understood that the accompanying drawings in this application are for illustrative and descriptive purposes only and are not intended to limit the scope of protection of this application. Furthermore, it should be understood that the schematic drawings are not drawn to scale. The flowcharts used in this application illustrate operations implemented according to some embodiments of this application. It should be understood that the operations in the flowcharts may not be implemented in sequence, and steps without logical contextual relationships may be reversed or implemented simultaneously. In addition, those skilled in the art, guided by the content of this application, may add one or more other operations to the flowcharts, or remove one or more operations from the flowcharts.
[0077] Furthermore, the described embodiments are merely some, not all, of the embodiments of this application. The components of the embodiments of this application described and illustrated herein can typically be arranged and designed in various different configurations. Therefore, the following detailed description of the embodiments of this application provided in the accompanying drawings is not intended to limit the scope of the claimed application, but merely to illustrate selected embodiments of the application. All other embodiments obtained by those skilled in the art based on the embodiments of this application without inventive effort are within the scope of protection of this application.
[0078] It should be noted that the term "comprising" will be used in the embodiments of this application to indicate the presence of the features declared thereafter, but does not exclude the addition of other features.
[0079] The method described in this application embodiment can be applied to any scenario where it is necessary to determine the intrinsic bandgap of a thin film dielectric material with characteristic absorption peaks. The thin film dielectric material with characteristic absorption peaks can be HfO2, or different thin films such as TiO2 or ZrO2. For example, the method described in this application embodiment uses HfO2 as an example.
[0080] Before providing a detailed explanation of the technical solutions provided in this application, a brief background explanation will be given.
[0081] Methods for measuring the bandgap of thin-film dielectric materials mainly include X-ray detection, spectroscopy, and ellipsometrics. Among these, ellipsometrics is widely used due to its advantages such as low sample preparation requirements, environmentally friendly measurement, and high accuracy. Existing ellipsometric techniques primarily utilize direct measurement using Tauc-Lorentz and Cody-Lorentz optical models, dielectric function interpolation, and Tauc plotting interpolation. However, these methods are often affected by structural and electronic defects in the thin-film dielectric material itself. When applied to measuring the intrinsic bandgap, the measured bandgap value cannot accurately represent the intrinsic bandgap of the material molecules; instead, it represents the absorption bandgap influenced by thin-film defects. Furthermore, because the measured value is sensitive to the band tail absorption spectrum near the absorption edge, the measured bandgap of the thin-film dielectric material exhibits significant deviation and low accuracy.
[0082] Based on the above-mentioned problems, this application proposes a method for determining the intrinsic bandgap of thin-film dielectric materials. For thin-film dielectric materials with crystalline structures, characteristic absorption peaks related to the crystalline structure may exist in their spectral absorption and dispersion curves. Gaussian function peak fitting is performed on the spectral absorption and dispersion curves to obtain peak-fitted Gaussian function parameters and a reference dispersion curve. The fitted Gaussian function parameters and reference dispersion curves corresponding to the characteristic absorption peaks are extracted and processed to achieve the measurement of the intrinsic bandgap reflecting the molecular structure of the thin-film dielectric material.
[0083] Based on this, since the method for determining the intrinsic bandgap of thin film dielectric materials provided in this application embodiment is only applicable to thin film dielectric materials with characteristic absorption peaks, and the characteristic absorption peaks of thin film dielectric materials are only related to the intrinsic electronic structure of the thin film dielectric material molecules, the method for determining the intrinsic bandgap of thin film dielectric materials provided in this application embodiment can eliminate the interference caused by the structural defects and electronic defects of the thin film dielectric material itself, thereby reducing the measurement deviation of the intrinsic bandgap of the thin film dielectric material, so that the method for determining the intrinsic bandgap of thin film dielectric materials provided in this application embodiment can accurately measure the intrinsic bandgap of the molecular structure of the thin film dielectric material.
[0084] The following describes in detail the method for determining the intrinsic bandgap of thin film dielectric materials provided in this application, with reference to several embodiments.
[0085] Figure 1 This is a flowchart illustrating a method for determining the intrinsic bandgap of a thin-film dielectric material provided in an embodiment of this application. The subject executing this method can be any electronic device with computational processing capabilities. (Refer to...) Figure 1 As shown, the method includes:
[0086] S101. Perform ellipsometric measurement on the single-crystal or polycrystalline thin-film dielectric material to be measured to obtain the ellipsometric measurement parameters.
[0087] It should be understood that the embodiments of this application are applied to thin film dielectric materials with characteristic absorption peaks. The characteristic absorption peaks of thin film dielectric materials are related to the intrinsic electronic structure of thin film dielectric materials during crystallization. Therefore, the embodiments of this application are applied to thin film dielectric materials whose microstructure is single crystal or polycrystalline. Thus, by utilizing the electronic energy level splitting characteristics of single crystal or polycrystalline thin film dielectric materials during crystallization, the single crystal or polycrystalline thin film dielectric materials can form characteristic absorption peaks in the spectral absorption dispersion curves during crystallization that are related to the crystallization characteristics of single crystal or polycrystalline thin film dielectric materials.
[0088] It should be understood that in order to obtain the ellipsometric measurement parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, the single-crystal or polycrystalline thin-film dielectric material to be measured should be a homogeneous thin-film dielectric material with a smooth surface. In this case, a three-phase model consisting of air, the thin-film dielectric material, and the substrate can be used to characterize the structural model of the single-crystal or polycrystalline thin-film dielectric material to be measured. Based on this, the ellipsometric detection method is used to detect the changes in the amplitude and phase of the S and P components of the polarized light before and after interaction with the thin film, thereby determining the ellipsometric measurement parameters. Among them, the ellipsometric measurement parameters can be the azimuth angle ψ and the relative phase change Δ.
[0089] For example, the embodiments of this application use the following formulas (1), (2), and (3) to describe the ellipticity measurement parameters:
[0090]
[0091]
[0092]
[0093] Where, r p Let r be the complex reflection coefficient of the electric field of polarized P-light. s E is the complex reflection coefficient of the polarized S-light. p E is the electric vector of the polarized P-light. s Let be the electric vector of the polarized S-ray, 0, 1, and 2 represent the air medium, the thin film medium material, and the substrate, respectively, β is the phase difference, d and n1 are the thickness and refractive index of the thin film, and λ is the wavelength of the light in vacuum. Let θ be the incident angle of light, and let ψ be the azimuth angle and Δ be the relative phase change parameters.
[0094] For example, in the above formulas (1), (2), and (3), based on the Fresnel reflection coefficient formula and the law of refraction, multiple reflectivities and transmittances of light in the three-phase model can be calculated.
[0095] For example, when the interface is an air-thin film dielectric material interface, the complex reflection coefficients of the electric field for polarized P-light and polarized S-light are respectively:
[0096]
[0097] For example, when the interface is a thin-film dielectric material-substrate interface, the complex electric reflection coefficients of polarized P-light and polarized S-light are respectively:
[0098]
[0099] For example, the law of refraction can be:
[0100] n0sinφ0=n1sinφ1=n2sinφ2 (8)
[0101] Where φ0 and φ2 are the incident angles of light in the air medium and the substrate, respectively. and represents the optical constants of air and substrate.
[0102] For example, since the optical constants of air and substrate are known, the azimuth angle ψ and relative phase change Δ in the ellipsometric measurement parameters can be expressed based on the above formulas (1)-(8).
[0103] Optionally, the process of obtaining the elliptic measurement parameters described above can also be performed using an elliptic analyzer.
[0104] For example, taking amorphous and polycrystalline monolayer HfO2 thin film dielectric materials as an example, the monolayer HfO2 thin film samples in this embodiment are deposited on a single-crystal silicon substrate by vacuum electronic evaporation. The deposition parameters are: base vacuum 1.5 x 10⁻⁵ mbar, oxygen filling 2 x 10⁻⁴ mbar, evaporation rate 0.4 nm / s, and the electronically evaporated material has a purity of 99.9%. Based on the different thicknesses of the thin film dielectric materials, they are divided into monolayer HfO2 thin film sample 1 and monolayer HfO2 thin film sample 2, with thicknesses of 50 nm and 350 nm, respectively. Ellipsometry is used to obtain the ellipsometry measurement parameters ψ and Δ, with an ellipsometry measurement angle of approximately 75 degrees and an ellipsometry spectral measurement range of 190-500 nm (2.5-6.5 eV).
[0105] S102. Based on the pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured, generate elliptic simulation parameters. The measurement model is constructed by adding an oscillator to the original measurement model.
[0106] It should be understood that the original measurement model can be an oscillator model characterizing the optical parameters of the thin film to be tested. Since the thin film dielectric material to be measured in this application embodiment is a single crystal or polycrystalline thin film dielectric material, the crystal field formed inside the thin film dielectric material to be measured will cause the electronic energy level splitting of the thin film dielectric material molecules. Therefore, before generating the elliptic simulation parameters, it is necessary to add an oscillator to the original measurement model in advance to obtain a pre-constructed measurement model of the single crystal or polycrystalline thin film dielectric material to be measured, which is used to characterize the effect of energy level splitting on the absorption and dispersion spectra of electronic transitions.
[0107] Optionally, the original model can be the Tauc-Lorentz model, and the newly added oscillator can be a Lorentz oscillator. Based on this, the pre-constructed measurement model for the single-crystal or polycrystalline thin-film dielectric material to be measured is the Tauc-2Lorentz model. Therefore, the elliptic simulation parameters of the thin-film dielectric material to be measured can be obtained through the expression of the Tauc-2Lorentz model.
[0108] S103. Based on the ellipticity measurement parameters and the ellipticity simulation parameters, iteratively and fit, a spectral absorption and dispersion curve is generated. The spectral absorption and dispersion curve is used to characterize the optical absorption of the thin film dielectric material as a function of spectral energy. The changes include: electronic energy level transitions of the thin film material, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of the thin film material. Among them, thin film anomalies include: thin film defects and thin film impurities.
[0109] It should be understood that after the above steps S101 and S102, the elliptic measurement parameters and elliptic simulation parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured can be obtained in the embodiments of this application. On this basis, the elliptic measurement parameters and elliptic simulation parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are iterated and fitted by a preset algorithm. After the minimum root mean square error of the fit is judged, the measurement model in the above step S102 can be corrected, and the spectral absorption and dispersion curve of the single-crystal or polycrystalline thin-film dielectric material to be measured can be generated by the corrected measurement model.
[0110] It should be understood that the spectral absorption dispersion curve can be one of the dielectric function absorption dispersion curve, extinction coefficient absorption dispersion curve, and absorption coefficient absorption dispersion curve. When the single-crystal or polycrystalline thin-film dielectric material to be measured crystallizes, a crystal field is generated. The crystal field will cause the electronic energy levels of the single-crystal or polycrystalline thin-film dielectric material to be measured to split. At this time, the spectral absorption dispersion curve can characterize the change of optical absorption of the single-crystal or polycrystalline thin-film dielectric material to be measured with spectral energy. The change includes: electronic energy level transitions of the thin-film material, absorption spectrum information caused by thin-film anomalies, and characteristic absorption information related to the crystallization of the thin-film material. Among them, thin-film anomalies include: thin-film defects and thin-film impurities.
[0111] S104. Based on the spectral absorption and dispersion curve, Gaussian function peak fitting is performed to decompose the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the physically meaningful absorption information in the spectral absorption and dispersion curve. According to the decomposed several peak Gaussian functions, the corresponding peak fitting Gaussian function parameters and reference dispersion curve are obtained.
[0112] It should be understood that Gaussian function peak fitting processing of the spectral absorption and dispersion curve can obtain various intrinsic electronic structures and information hidden in the spectral absorption and dispersion curve of the single-crystal or polycrystalline thin film dielectric material to be measured. Through Gaussian function peak fitting processing, the original data in the spectral absorption and dispersion curve can be compressed into a small number of peak-separated Gaussian functions while retaining effective information. At the same time, the decomposed peak-separated Gaussian functions have more explicit physical meanings, so that the corresponding peak-separated fitting Gaussian function parameters and reference dispersion curve can be obtained based on the decomposed peak-separated Gaussian functions, and the physical properties of the single-crystal or polycrystalline thin film dielectric material to be measured can be determined. Thus, the intrinsic bandgap of the thin film dielectric material can be determined using the method for determining the intrinsic bandgap of the thin film dielectric material provided in the embodiments of this application.
[0113] S105. Based on the peak fitting Gaussian function parameters and the reference dispersion curve, extract the target fitting Gaussian function parameters and the target reference dispersion curve corresponding to the characteristic absorption peaks of the thin film dielectric material, and perform normalization and linear extrapolation to determine the intrinsic bandgap of the single crystal or polycrystalline thin film dielectric material to be measured.
[0114] It should be understood that, based on the several reference dispersion curves obtained in step S104 above, by analyzing the image features in the images of the several reference dispersion curves, it is possible to determine parameters with clear physical meaning, such as peak shape, peak value, and peak position, in the images of the several reference dispersion curves. On this basis, it is possible to determine the target reference dispersion curve among the several reference dispersion curves, and thus determine the target fitting Gaussian function parameters corresponding to the target reference dispersion curve through the target reference dispersion curve.
[0115] It should be understood that the target reference dispersion curve and the target fitted Gaussian function parameters corresponding to the target reference dispersion curve can characterize the physical characteristics of the single-crystal or polycrystalline thin film dielectric material to be measured. By normalizing the target reference dispersion curve and the target fitted Gaussian function parameters corresponding to the target reference dispersion curve and the target fitted Gaussian function parameters corresponding to the target reference dispersion curve, the physical parameters related to the intrinsic bandgap of the single-crystal or polycrystalline thin film dielectric material to be measured can be determined, thereby realizing the determination of the intrinsic bandgap of the thin film dielectric material.
[0116] The embodiments described above utilize the crystal field generated during the crystallization of single-crystal or polycrystalline thin-film dielectric materials. This crystal field causes the electronic energy levels of the single-crystal or polycrystalline thin-film dielectric materials to split. By combining the spectral absorption and dispersion curves with Gaussian function peak fitting, the physical properties of the single-crystal or polycrystalline thin-film dielectric materials can be obtained, thereby determining the target fitting Gaussian function parameters and the target reference dispersion curve. Based on this, the target fitting Gaussian function parameters and the target reference dispersion curve are normalized and linearly extrapolated to determine the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0117] Figure 2 This is a flowchart illustrating the method for determining ellipticity simulation parameters in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application.
[0118] As one possible implementation method, refer to Figure 2 As shown, step S102 above may include:
[0119] S201. Read the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured from the measurement model.
[0120] Optionally, when the measurement model is the Tauc-2Lorentz model, the expression of the Tauc-2Lorentz model can describe the imaginary part of the dielectric function of the thin film dielectric material to be measured, characterize the energy loss of the oscillator, and thus read the optical parameters of the single crystal or polycrystalline thin film dielectric material to be measured from the measurement model.
[0121] S202. Based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, generate elliptic simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0122] Optionally, based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured obtained in step S201 above, ellipticity simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are generated to realize the subsequent processing steps.
[0123] Figure 3 This is a flowchart illustrating the method for determining the minimum root mean square error of the fit in the method for determining the intrinsic bandgap of the thin film dielectric material provided in the embodiments of this application.
[0124] As one possible implementation method, refer to Figure 3 As shown, step S103 above may include:
[0125] S301. Iterate to determine the minimum root mean square error of the elliptic measurement parameters and the elliptic simulation parameters.
[0126] Optionally, the minimum root mean square error of the elliptic measurement parameters obtained in step S101 and the elliptic simulation parameters obtained in step S202 can be determined iteratively according to a preset algorithm, wherein the preset algorithm is the Levenberg-Marquardt algorithm.
[0127] S302. If the difference between the minimum root mean square difference obtained from multiple consecutive iterations is less than a preset threshold, then a spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration.
[0128] Optionally, the minimum root mean square difference obtained from multiple consecutive iterations is judged. If the difference between the minimum root mean square differences obtained from multiple consecutive iterations is less than a preset threshold, then a spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration.
[0129] S303. Otherwise, the measurement model is corrected based on the minimum root mean square error of the fit, and the minimum root mean square error of the fit is re-determined based on the elliptic simulation parameters and elliptic measurement parameters obtained from the corrected measurement model, until the minimum root mean square error of the fit is less than the preset threshold.
[0130] Optionally, the minimum root mean square error obtained from multiple consecutive iterations is judged. If the difference between the minimum root mean square errors obtained from multiple consecutive iterations is greater than or equal to a preset threshold, the measurement model is corrected based on the minimum fitted root mean square error, and the minimum fitted root mean square error is re-determined based on the elliptic simulation parameters and elliptic measurement parameters obtained from the corrected measurement model, until the minimum fitted root mean square error is less than the preset threshold.
[0131] Figure 4(a) is a flowchart illustrating the method for determining the spectral absorption and dispersion curve in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application.
[0132] Figure 4(b) is a schematic diagram of the extinction coefficient absorption and dispersion curves of monolayer HfO2 thin film sample 1 and monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application.
[0133] As one possible implementation, referring to Figure 4(a), step S302 above may include:
[0134] S401. Based on the measurement model used in the most recent iteration, the mapping relationship between the optical absorption parameters and energy in the elliptic simulation parameters is obtained.
[0135] Optionally, based on the expression of the measurement model determined in step S302 above, the imaginary part of the dielectric function of the thin film dielectric material to be measured is described, the energy loss of the oscillator is characterized, and the mapping relationship between the optical absorption parameters and energy in the ellipsometric simulation parameters is obtained.
[0136] S402. Based on the mapping relationship between optical absorption parameters and energy, generate spectral absorption and dispersion curves.
[0137] Optionally, a spectral absorption and dispersion curve can be generated based on the mapping relationship between optical absorption parameters and energy in the elliptic simulation parameters.
[0138] For example, taking the above-mentioned monolayer HfO2 thin film sample 1 and monolayer HfO2 thin film sample 2 as examples, as shown in FIG4(b), the extinction coefficient absorption and dispersion curves of monolayer HfO2 thin film sample 1 and monolayer HfO2 thin film sample 2 can be obtained through the above embodiments of this application.
[0139] Figure 5(a) is a flowchart illustrating the method for determining the peak Gaussian function in the method for determining the intrinsic bandgap of thin film dielectric materials provided in the embodiments of this application.
[0140] Figure 5(b) is a schematic diagram of several reference dispersion curves of monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application.
[0141] As one possible implementation, referring to Figure 5(a), step S104 above may include:
[0142] S501. Determine the initial parameters of the Gaussian function based on the spectral absorption and dispersion curve.
[0143] Optionally, the initial parameters of the Gaussian function can be determined based on the spectral absorption and dispersion curve obtained in step S402 above.
[0144] S502. According to the preset iteration step size, the initial parameters of the Gaussian function are iteratively adjusted to obtain several peak-splitting Gaussian functions.
[0145] Optionally, the initial parameters of the Gaussian function are iteratively adjusted according to a preset iteration step size until the fitting error meets a preset threshold, and then the iteration stops to obtain the characteristic parameters of several peaked Gaussian functions.
[0146] S503. Based on several peak-separated Gaussian functions, generate the corresponding peak-separated fitting Gaussian function parameters and reference dispersion curves.
[0147] Optionally, based on the characteristic parameters of several peak-separated Gaussian functions, the corresponding peak-separated fitting Gaussian function parameters and the corresponding reference dispersion curves can be generated.
[0148] For example, taking the above-mentioned monolayer HfO2 thin film sample 2 as an example, as shown in FIG5(b), several reference dispersion curves of the monolayer HfO2 thin film sample 2 can be obtained through the above embodiments of this application.
[0149] Figure 6(a) is a flowchart illustrating the intrinsic bandgap determination method provided in the embodiment of this application for determining the intrinsic bandgap width of a thin film dielectric material.
[0150] Figure 6(b) is a schematic diagram of the target reference dispersion curve of monolayer HfO2 thin film sample 2 in the method for determining the intrinsic bandgap of thin film dielectric material provided in the embodiments of this application.
[0151] As one possible implementation, referring to Figure 6(a), step S105 above may include:
[0152] S601. Determine the target reference dispersion curve based on the peak energy position of the characteristic absorption peak in the reference dispersion curve.
[0153] Optionally, the features of the reference dispersion curve image are judged. When a peak appears in the reference dispersion curve and the peak decreases symmetrically on both sides, the reference dispersion curve is determined to be the target reference dispersion curve.
[0154] Optionally, the characteristics of the reference dispersion curve image are judged. When a shoulder-shaped absorption peak appears in the reference dispersion curve, the reference dispersion curve is determined to be the target reference dispersion curve.
[0155] For example, taking the above-mentioned monolayer HfO2 thin film sample 2 as an example, as shown in FIG5(b), the curve 2 therein can be determined as the target reference dispersion curve of the monolayer HfO2 thin film sample 2 through the above embodiments of this application.
[0156] S602. Obtain the target fitting Gaussian function parameters corresponding to the target reference dispersion curve.
[0157] Optionally, after determining the target reference dispersion curve, the corresponding target fitting Gaussian function parameters can be obtained.
[0158] S603. Normalize the Gaussian function parameters fitted to the target and the target reference dispersion curve.
[0159] Optionally, the parameters of the Gaussian function fitted to the target and the target reference dispersion curve can be normalized according to preset units.
[0160] For example, taking the above-mentioned single-layer HfO2 thin film sample 2 as an example, as shown in Figure 6(b), is the normalized target reference dispersion curve.
[0161] S604. Draw a straight line passing through the first point on the target reference dispersion curve corresponding to the first endpoint and the second point on the target reference dispersion curve corresponding to the second endpoint.
[0162] Optionally, in the target reference dispersion curve image, determine the first intersection point of the straight line containing the first endpoint and the target reference dispersion curve, and determine the second intersection point of the straight line containing the second endpoint and the target reference dispersion curve. Connect the first intersection point and the second intersection point to obtain a straight line. The first endpoint is located at 20% of the peak energy on the vertical axis, and the straight line containing the first endpoint is parallel to the horizontal axis. The second endpoint is located at 50% of the peak energy on the vertical axis, and the straight line containing the second endpoint is parallel to the horizontal axis.
[0163] For example, taking the above-mentioned single-layer HfO2 thin film sample 2 as an example, as shown in Figure 6(b), the straight line where the first endpoint is located is 6001 in the figure, and the straight line where the second endpoint is located is 6002 in the figure. Connecting the first intersection point and the second intersection point, we get the straight line 6003.
[0164] S605. Determine the intersection point of the straight line with the horizontal axis of the coordinate system containing the target reference dispersion curve.
[0165] Optionally, the straight line in step S604 above can be extended to obtain the intersection point with the horizontal axis.
[0166] For example, taking the above-mentioned single-layer HfO2 thin film sample 2 as an example, as shown in Figure 6(b), the intersection of the straight line 6003 and the horizontal axis is a.
[0167] S606. The energy value corresponding to the intersection point is used as the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0168] Optionally, the energy value corresponding to the intersection point obtained in step S605 above can be used as the intrinsic bandgap measurement value of the single-crystal or polycrystalline thin film dielectric material to be measured.
[0169] For example, taking the monolayer HfO2 thin film sample 2 mentioned above as an example, as shown in FIG6(b), the energy value corresponding to the intersection point a is taken as the intrinsic bandgap width of the monolayer HfO2 thin film sample 2, i.e., 5.74eV.
[0170] Based on the same inventive concept, this application also provides a device for determining the intrinsic bandgap width of a thin film dielectric material, which corresponds to the method for determining the intrinsic bandgap width of the thin film dielectric material. Since the principle of the device in this application is similar to the method for determining the intrinsic bandgap width of the thin film dielectric material described above in this application, the implementation of the device can refer to the implementation of the method, and the repeated parts will not be described again.
[0171] Figure 7 A schematic diagram of the structure of the device for determining the intrinsic bandgap width of a thin film dielectric material provided in the embodiments of this application is shown below. Figure 7 The device includes:
[0172] The first parameter determination module 701 is used to perform ellipticity measurement on the single-crystal or polycrystalline thin film dielectric material to be measured, and obtain the ellipticity measurement parameters.
[0173] The second parameter determination module 702 is used to generate elliptic simulation parameters based on a pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured. The measurement model is constructed by adding an oscillator to the original measurement model.
[0174] The generation module 703 is used to generate spectral absorption and dispersion curves based on the ellipticity measurement parameters and ellipticity simulation parameters through iteration and fitting. The spectral absorption and dispersion curves are used to characterize the changes in optical absorption of thin film dielectric materials with spectral energy. The changes include: electronic energy level transitions of thin film materials, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of thin film materials. Among them, thin film anomalies include: thin film defects and thin film impurities.
[0175] The decomposition module 704 is used to perform Gaussian function peak fitting processing based on the spectral absorption and dispersion curve. It decomposes the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the absorption information with physical meaning in the spectral absorption and dispersion curve. Based on the decomposed peak Gaussian functions, the corresponding peak fitting Gaussian function parameters and reference dispersion curve are obtained.
[0176] The determination module 705 is used to extract the target fitted Gaussian function parameters and target reference dispersion curve corresponding to the characteristic absorption peaks of the thin film dielectric material based on the peak fitting Gaussian function parameters and reference dispersion curve, and to perform normalization and linear extrapolation to determine the intrinsic bandgap of the single crystal or polycrystalline thin film dielectric material to be measured.
[0177] As one possible implementation, the second parameter determination module 702 is specifically used for:
[0178] Read the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured from the measurement model;
[0179] Based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, elliptic simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are generated.
[0180] As one possible implementation, module 703 is specifically used for:
[0181] The minimum root mean square error of the fit of the elliptic measurement parameters and the elliptic simulation parameters is determined iteratively.
[0182] If the difference between the minimum root mean square error obtained from multiple consecutive iterations is less than a preset threshold, then a spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration.
[0183] Otherwise, the measurement model is corrected based on the minimum root mean square error of the fit, and the minimum root mean square error of the fit is re-determined based on the elliptic simulation parameters and elliptic measurement parameters obtained from the corrected measurement model, until the minimum root mean square error of the fit is less than the preset threshold.
[0184] As one possible implementation, module 703 is specifically used for:
[0185] Based on the measurement model used in the most recent iteration, the mapping relationship between the optical absorption parameters and energy in the elliptic simulation parameters is obtained;
[0186] Based on the mapping relationship between optical absorption parameters and energy, spectral absorption and dispersion curves are generated.
[0187] As one possible implementation, the decomposition module 704 is specifically used for:
[0188] Determine the initial parameters of the Gaussian function based on the spectral absorption and dispersion curve;
[0189] According to the preset iteration step size, the initial parameters of the Gaussian function are iteratively adjusted to obtain several peak-separated Gaussian functions;
[0190] Based on several peak-separated Gaussian functions, the corresponding peak-separated fitting Gaussian function parameters and reference dispersion curves are generated.
[0191] As one possible implementation, module 705 is defined as being used specifically for:
[0192] The target reference dispersion curve is determined based on the peak energy position of the characteristic absorption peak in the reference dispersion curve.
[0193] Obtain the parameters of the target fitted Gaussian function corresponding to the target reference dispersion curve;
[0194] Normalize the parameters of the Gaussian function fitted to the target and the target reference dispersion curve;
[0195] Draw a straight line passing through the first point on the target reference dispersion curve corresponding to the first endpoint and the second point on the target reference dispersion curve corresponding to the second endpoint;
[0196] Determine the intersection point of the straight line with the horizontal axis of the coordinate system containing the target reference dispersion curve;
[0197] The energy value corresponding to the intersection point is used as the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
[0198] Figure 8 This is a schematic diagram of an electronic device provided in an embodiment of this application.
[0199] This application also provides an electronic device 800, such as... Figure 8 The diagram shown is a schematic representation of the structure of an electronic device 800 provided in an embodiment of this application. It includes a processor 801, a memory 802, and optionally, a bus 803. The memory 802 stores machine-readable instructions executable by the processor 801 (e.g., ...). Figure 7 The device includes the first parameter determination module 701, the second parameter determination module 702, the generation module 703, the decomposition module 704, and the execution instructions corresponding to the determination module 705. When the electronic device 800 is running, the processor 801 and the memory 802 communicate through the bus 803. When the machine-readable instructions are executed by the processor 61, the steps of the above-mentioned method for determining the intrinsic bandgap width of the thin film dielectric material are performed.
[0200] This application also provides a computer-readable storage medium storing a computer program, which, when executed by a processor, performs the steps of the method for determining the intrinsic bandgap width of the thin film dielectric material described above.
[0201] Those skilled in the art will clearly understand that, for the sake of convenience and brevity, the specific working processes of the systems and devices described above can be referred to the corresponding processes in the method embodiments, and will not be repeated here. In the several embodiments provided in this application, it should be understood that the disclosed systems, devices, and methods can be implemented in other ways. The device embodiments described above are merely illustrative. For example, the division of modules is only a logical functional division, and in actual implementation, there may be other division methods. Furthermore, multiple modules or components can be combined or integrated into another system, or some features can be ignored or not executed. Another point is that the displayed or discussed mutual coupling or direct coupling or communication connection can be through some communication interfaces; the indirect coupling or communication connection of devices or modules can be electrical, mechanical, or other forms.
[0202] Furthermore, the functional units in the various embodiments of this application can be integrated into one processing unit, or each unit can exist physically separately, or two or more units can be integrated into one unit. If the functions are implemented as software functional units and sold or used as independent products, they can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of this invention, or the part that contributes to the prior art, or a part of the technical solution, can be embodied in the form of a software product. This computer software product is stored in a storage medium and includes several instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute all or part of the steps of the methods described in the various embodiments of this invention. The aforementioned storage medium includes various media capable of storing program code, such as USB flash drives, portable hard drives, read-only memory (ROM), random access memory (RAM), magnetic disks, or optical disks.
[0203] The above are merely specific embodiments of this application, but the scope of protection of this application is not limited thereto. Any changes or substitutions that can be easily conceived by those skilled in the art within the scope of the technology disclosed in this application should be included within the scope of protection of this application.
Claims
1. A method for determining the intrinsic bandgap of a thin-film dielectric material, characterized in that, include: Ellipsometry is performed on the single-crystal or polycrystalline thin-film dielectric material to be measured to obtain ellipsometry parameters; Based on the pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured, elliptic simulation parameters are generated. The measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured is a Tauc-2Lorentz model, which is constructed by adding a Lorentz oscillator to the Tauc-Lorentz model. Based on the ellipticity measurement parameters and the ellipticity simulation parameters, a spectral absorption and dispersion curve is generated through iteration and fitting. The spectral absorption and dispersion curve is used to characterize the change of optical absorption of the thin film dielectric material with spectral energy. The change includes: electronic energy level transitions of the thin film material, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of the thin film material. Among them, thin film anomalies include: thin film defects and thin film impurities. Based on the spectral absorption and dispersion curve, Gaussian function peak fitting is performed to decompose the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the absorption information with physical meaning in the spectral absorption and dispersion curve. According to the several peak Gaussian functions after decomposition, the corresponding peak fitting Gaussian function parameters and reference dispersion curve are obtained. The target reference dispersion curve is determined based on the peak energy position of the characteristic absorption peak in the reference dispersion curve. Obtain the target fitting Gaussian function parameters corresponding to the target reference dispersion curve; Normalize the parameters of the Gaussian function fitted to the target and the target reference dispersion curve; Draw a straight line passing through the first point on the target reference dispersion curve corresponding to the first endpoint and the second point on the target reference dispersion curve corresponding to the second endpoint; Determine the intersection point of the straight line on the horizontal axis of the coordinate system containing the target reference dispersion curve; The energy value corresponding to the intersection point is used as the intrinsic bandgap of the single-crystal or polycrystalline thin-film dielectric material to be measured.
2. The method for determining the intrinsic bandgap of a thin-film dielectric material according to claim 1, characterized in that, The method generates elliptic simulation parameters based on a pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured, including: The optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are read from the measurement model; Based on the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured, ellipticity simulation parameters of the optical parameters of the single-crystal or polycrystalline thin-film dielectric material to be measured are generated.
3. The method for determining the intrinsic bandgap of a thin-film dielectric material according to claim 1, characterized in that, The step of generating a spectral absorption and dispersion curve by iterating and fitting the ellipticity measurement parameters and the ellipticity simulation parameters includes: The minimum root mean square error of the fit of the elliptic measurement parameters and the elliptic simulation parameters is determined iteratively. If the difference between the minimum root mean square errors obtained from multiple consecutive iterations is less than a preset threshold, then the spectral absorption and dispersion curve is generated based on the measurement model used in the most recent iteration. Otherwise, the measurement model is corrected based on the minimum root mean square error of the fit, and the minimum root mean square error of the fit is re-determined based on the elliptic simulation parameters obtained from the corrected measurement model and the elliptic measurement parameters, until the minimum root mean square error of the fit is less than the preset threshold.
4. The method for determining the intrinsic bandgap of a thin-film dielectric material according to claim 3, characterized in that, The step of generating the spectral absorption and dispersion curve based on the measurement model used in the most recent iteration includes: Based on the measurement model used in the most recent iteration, the mapping relationship between the optical absorption parameters and energy in the elliptic simulation parameters is obtained; The spectral absorption and dispersion curves are generated based on the mapping relationship between the optical absorption parameters and energy.
5. The method for determining the intrinsic bandgap of a thin-film dielectric material according to claim 1, characterized in that, The Gaussian function peak fitting process based on the spectral absorption and dispersion curve decomposes the spectral absorption and dispersion curve into several peak-separated Gaussian functions. Based on these decomposed peak-separated Gaussian functions, the corresponding peak-separated fitting Gaussian function parameters and reference dispersion curve are obtained, including: Based on the spectral absorption and dispersion curve, determine the initial parameters of the Gaussian function; According to the preset iteration step size, the initial parameters of the Gaussian function are iteratively adjusted to obtain several peak-splitting Gaussian functions; Based on the aforementioned peak-separated Gaussian functions, corresponding peak-separated fitting Gaussian function parameters and reference dispersion curves are generated.
6. A device for determining the intrinsic bandgap width of a thin-film dielectric material, characterized in that, include: The first parameter determination module is used to perform ellipticity measurement on the single-crystal or polycrystalline thin film dielectric material to be measured, and obtain the ellipticity measurement parameters. The second parameter determination module is used to generate elliptic simulation parameters based on the pre-constructed measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured. The measurement model of the single-crystal or polycrystalline thin-film dielectric material to be measured is a Tauc-2Lorentz model, which is constructed by adding a Lorentz oscillator to the Tauc-Lorentz model. The generation module is used to generate a spectral absorption and dispersion curve based on the ellipticity measurement parameters and the ellipticity simulation parameters through iteration and fitting. The spectral absorption and dispersion curve is used to characterize the change of optical absorption of the thin film dielectric material with spectral energy. The change includes: electronic energy level transitions of the thin film material, absorption spectral information caused by thin film anomalies, and characteristic absorption information related to the crystallization of the thin film material. Among them, thin film anomalies include: thin film defects and thin film impurities. The decomposition module is used to perform Gaussian function peak fitting processing based on the spectral absorption and dispersion curve, decomposing the spectral absorption and dispersion curve into several peak Gaussian functions to characterize the absorption information with physical meaning in the spectral absorption and dispersion curve, and obtaining the corresponding peak fitting Gaussian function parameters and reference dispersion curve based on the decomposed several peak Gaussian functions. The determination module is used to determine the target reference dispersion curve based on the peak energy position of the characteristic absorption peak in the reference dispersion curve; obtain the target fitting Gaussian function parameters corresponding to the target reference dispersion curve; normalize the target fitting Gaussian function parameters and the target reference dispersion curve; draw a straight line passing through the first point corresponding to the first endpoint on the target reference dispersion curve and the second point corresponding to the second endpoint on the target reference dispersion curve; determine the intersection point of the straight line on the horizontal axis of the coordinate system where the target reference dispersion curve is located; and use the energy value corresponding to the intersection point as the measured value of the intrinsic bandgap of the single crystal or polycrystalline thin film dielectric material to be measured.
7. An electronic device, characterized in that, include: The processor and memory, the memory storing machine-readable instructions executable by the processor, which, when the electronic device is running, are executed by the processor to perform the steps of the method for determining the intrinsic bandgap of a thin-film dielectric material as described in any one of claims 1 to 5.
8. A computer-readable storage medium, characterized in that, The computer-readable storage medium stores a computer program that, when executed by a processor, performs the steps of the method for determining the intrinsic bandgap of a thin-film dielectric material as described in any one of claims 1 to 5.
Citation Information
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Gaussian multi-peak fitting-based spectrum analysis algorithm
CN107462535A