Super-junction MOSFET structure and manufacturing method thereof

Abstract

The invention discloses a manufacturing method of a super-junction MOSFET structure. The manufacturing method comprises the following steps of S1, obtaining the surface roughness, the surface defect density and the interface trap density of a super-junction MOSFET; s2, comparing the obtained surface and interface quality parameters according to a threshold value; s3, performing wet chemical cleaning or plasma cleaning on the semiconductor material needing to be improved; s4, applying a passivation layer on the surface of the cleaned semiconductor material; s5, introducing a high-dielectric-constant material into a gate interface to serve as a gate dielectric layer; s6, according to the working voltage and the power level of the super junction MOSFET; s7, carrying out electrical characteristic characterization on the super-junction MOSFET after surface treatment and interface regulation and control; the surface roughness, the defect density and the interface trap density are analyzed through an atomic force microscope and a scanning electron microscope, quantitative parameters are provided for evaluating the surface quality, potential problems are helped to be recognized, meanwhile, a wet chemical cleaning method and a plasma cleaning method are adopted, it is ensured that the surface is clean and flat, impurities and oxide layers are eliminated, and the surface quality is improved.

Description

Technical Field

[0001] The present invention relates to the field of semiconductor technology, and in particular to a super junction MOSFET structure and a manufacturing method thereof. Background Art

[0002] In the manufacturing process of superjunction MOSFET structure, surface and interface engineering faces many technical challenges. First, the superjunction MOSFET structure has extremely high requirements on the surface and interface quality of semiconductor materials. Any slight defect may lead to serious degradation of device performance. Secondly, traditional surface treatment technologies such as cleaning and passivation are difficult to meet the stringent requirements of superjunction MOSFET structure on the surface and interface. Moreover, although the introduction of high dielectric constant materials can improve device characteristics, the interface between them and semiconductor materials is prone to produce a large number of interface states, resulting in a decrease in carrier mobility and an increase in leakage current.

[0003] In addition, the interface problem between the multilayer epitaxial wafer and the substrate in the superjunction MOSFET structure cannot be ignored. During the epitaxial growth process, slight fluctuations in temperature and pressure conditions may introduce defects at the interface, such as dislocation and strain. These defects will become scattering centers for carriers, reducing the conduction performance of the device. At the same time, if the interface between the multilayer epitaxial wafers is not handled properly, it will lead to energy band discontinuity, hinder the transmission of carriers, and increase the on-resistance of the device.

[0004] Finally, the special design of the superjunction MOSFET structure poses new challenges to surface and interface engineering. For example, the alternating arrangement of P columns and N columns in the superjunction region greatly increases the interface density of the PN junction. How to ensure the interface quality at such a high interface density is a difficult problem that needs to be solved urgently. At the same time, the electric field distribution in the superjunction region is extremely uneven, which can easily induce interface defects in certain high electric field areas, thereby causing reliability problems.

[0005] In summary, the superjunction MOSFET structure places extremely high demands on surface and interface engineering. How to achieve high-quality surfaces and interfaces in complex device structures is a complex technical issue involving multiple fields such as materials, processes, and devices, which requires researchers to continue to tackle the problem. Summary of the invention

[0006] In order to solve the above-mentioned technical problems, the present invention provides a super junction MOSFET structure and a manufacturing method thereof.

[0007] The technical solution of the present invention is achieved in this way: A super junction MOSFET structure, comprising: The substrate is usually a silicon substrate, which serves as the basis of the device; A gate, the gate being made of polysilicon and used to control the conductivity of the channel; It also includes a super junction region: the super junction region is located above the surface of the substrate, the super junction region includes an N channel region and a P channel region, the N channel region has a higher doping concentration, the P channel region has a lower doping concentration, and is used to form a PN junction, the N channel and the P channel are alternately stacked, and the super junction region is connected to the substrate through the P channel and the N channel structure; The super junction region is covered with an insulating layer, the insulating layer is covered with a gate metal layer, and the gate metal layer is separated from the super junction region by the insulating layer; A floating carrier layer is arranged outside the super junction region.

[0008] The material of the N-channel region is N-type doped silicon, and the material of the P-channel region is P-type doped silicon.

[0009] A method for manufacturing a super junction MOSFET, based on the super junction MOSFET structure described above, comprises the following steps: S1. Obtain the surface roughness, surface defect density, and interface trap density of super junction MOSFET, analyze them through atomic force microscopy and scanning electron microscopy, and quantify them into parameters; S2. Surface and interface quality parameters obtained by threshold comparison. If the surface roughness exceeds 5 nanometers, the surface defect density exceeds 10^9 / cm^2, and the interface trap density exceeds 10^12 eV^-1cm^-2, it is determined that the surface and interface quality of the material do not meet the performance requirements of super junction MOSFET, and further surface treatment of the semiconductor material is required; S3. Wet chemical cleaning or plasma cleaning is performed on the semiconductor materials that need to be improved to remove impurities and oxide layers, and deionized water, organic solvents, acid and alkali solutions and inert gases are used for cleaning in turn; Among them, the steps of performing rotation cleaning are: Sa1. Use deionized water for cleaning. Deionized water cleaning can effectively remove dust, impurities and water-soluble pollutants on the surface; Sa2, using organic solvent cleaning, organic solvent cleaning can effectively remove organic residues and grease on the surface, ensure that the surface is free of organic solvent pollution, and improve cleanliness; the organic solvent can be ethanol; Sa3, use acid and alkali solution to clean, acid and alkali solution cleaning can remove the surface oxide layer and other chemical residues; Sa4, inert gas cleaning, inert gas cleaning is mainly to protect the surface from oxidation, while ensuring that the surface remains dry; Through the steps of repeated cleaning, the surface will become clean and smooth, and various pollutants and impurities will be removed, providing a good foundation for subsequent processing work; S4. Apply a passivation layer on the surface of the cleaned semiconductor material, select silicon nitride material, and use chemical vapor deposition and atomic layer deposition technology to deposit it, control the uniformity and thickness of the film, so as to reduce the generation of surface defects; ① Select chemical vapor deposition (CVD) technology for deposition, set the temperature, pressure and gas flow parameters of the CVD reaction chamber, select silicon oxide (SiO2) material as the passivation layer material, place the substrate surface in the CVD reaction chamber, and start the deposition process; ② Control uniformity and thickness by controlling the air flow rate to evenly distribute it on the substrate surface, controlling the deposition time to achieve the set thickness, and installing an atomic force microscope to monitor the uniformity and thickness of the deposited film in real time; ③ Real-time monitoring and adjustment, regularly use ellipsometer or atomic force microscope tools to monitor the uniformity and thickness of the deposited layer; ④ Ensure uniform deposition of the passivation layer by precisely controlling the parameters during the vapor deposition process to avoid uneven thickness or wrinkling. A passivation layer of the desired thickness can be achieved through monitoring and adjustment. S5. Introducing a high dielectric constant material as a gate dielectric layer at the gate interface, including hafnium oxide and zirconium oxide, wherein the mixing ratio of hafnium oxide to zirconium oxide is 3:7, optimizing the deposition process parameters by adjusting the deposition temperature and pressure, and repairing the interface defects by a subsequent thermal annealing process; S6. According to the operating voltage and power level of the super junction MOSFET, select the appropriate type of high dielectric constant material and calculate its optimal thickness, and design the structural parameters of the gate dielectric layer; S7. Characterize the electrical characteristics of the superjunction MOSFET after surface treatment and interface regulation to obtain the threshold voltage, subthreshold swing, and leakage current parameters.

[0010] Compared with the prior art, the present invention has the following beneficial effects: 1. The present invention uses atomic force microscopy and scanning electron microscopy to analyze surface roughness, defect density and interface trap density, providing quantitative parameters for evaluating surface quality and helping to identify potential problems. At the same time, wet chemical cleaning and plasma cleaning methods are used, and deionized water, organic solvents, acid and alkali solutions and inert gases are used in turn to ensure that the surface is clean and flat, remove impurities and oxide layers, and improve surface quality; 2. By selecting silicon nitride material as the passivation layer, the uniformity and thickness of the film can be controlled through chemical vapor deposition and atomic layer deposition technology, the generation of surface defects can be reduced, and the surface quality can be improved; 3. By introducing high dielectric constant materials as the gate dielectric layer and optimizing deposition parameters and structural design, the interface defects can be repaired, the device regulation effect can be enhanced, and the performance balance of the device can be improved; 4. By characterizing the electrical characteristics of the processed superjunction MOSFET, key parameters such as threshold voltage, subthreshold swing, and leakage current are obtained. Through real-time monitoring and adjustment, the effectiveness of the surface and interface control process is confirmed to achieve device performance requirements. BRIEF DESCRIPTION OF THE DRAWINGS

[0011] Figure 1 A schematic diagram of a super junction MOSFET structure of the present invention; Figure 2 This is a flow chart of the steps of a method for manufacturing a super junction MOSFET structure in Example 2.

[0012] 1. Substrate; 2. Gate; 3. Super junction region; 4. N-channel region; 5. P-channel region; 6. Insulating layer; 7. Gate metal layer; 8. Floating carrier layer. DETAILED DESCRIPTION

[0013] In order to make the purpose, features and advantages of the present invention more obvious and easy to understand, the technical solutions in the embodiments of the present invention will be clearly and completely described below in conjunction with the drawings in the embodiments of the present invention. Obviously, the embodiments described below are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

[0014] Embodiment 1: This embodiment provides a super junction MOSFET structure, including: The substrate is usually a silicon substrate, which serves as the basis of the device; A gate, the gate being made of polysilicon and used to control the conductivity of the channel; It also includes a super junction region: the super junction region is located above the substrate surface and serves as a conductive region of the device. The super junction region includes an N channel region and a P channel region. The N channel region has a higher doping concentration, resulting in low resistance and undertakes the main conductive task. The P channel region has a lower doping concentration and is used to form a PN junction to enhance the withstand voltage performance of the device. The N channel and the P channel are alternately stacked, and the super junction region is connected to the substrate through the P channel and the N channel structure to form a conductive path of the super junction MOSFET. The super junction region is covered with an insulating layer, and the insulating layer is covered with a gate metal layer. The gate metal layer is separated from the super junction region by the insulating layer, and the voltage control of the gate metal layer can adjust the conduction state of the super junction region; A floating carrier layer is arranged outside the super junction region, which can reduce the diffusion of the depletion region and improve the withstand voltage performance.

[0015] The material of the N-channel region is N-type doped silicon, and the material of the P-channel region is P-type doped silicon.

[0016] In this embodiment, the gate is made of polysilicon and is used to control the conductivity of the channel. The conduction state of the super junction region can be adjusted by controlling the voltage of the gate metal layer to achieve the switching function of the device. The P channel region has a lower doping concentration and is used to form a PN junction to enhance the device's withstand voltage performance, which helps protect the device from damage in a high voltage environment; N-channel and P-channel are stacked alternately: This design can achieve lower on-resistance and improve the conductivity efficiency of the device; The insulating layer is covered with a gate metal layer. The floating carrier layer can reduce the diffusion of the depletion region, improve the voltage resistance, and ensure the stability and reliability of the device.

[0017] Embodiment 2: This embodiment provides a method for manufacturing a super junction MOSFET, based on the super junction MOSFET structure described above, comprising the following steps: S1. Obtain the surface roughness, surface defect density, and interface trap density of super junction MOSFET, analyze them through atomic force microscopy and scanning electron microscopy, and quantify them into parameters; S2. Surface and interface quality parameters obtained by threshold comparison. If the surface roughness exceeds 5 nanometers, the surface defect density exceeds 10^9 / cm^2, and the interface trap density exceeds 10^12 eV^-1cm^-2, it is determined that the surface and interface quality of the material do not meet the performance requirements of super junction MOSFET, and further surface treatment of the semiconductor material is required; S3. Perform wet chemical cleaning or plasma cleaning on the semiconductor material that needs to be improved to remove impurities and oxide layers, and use deionized water, organic solvents, acid and alkali solutions and inert gases to clean in turn to obtain an atomically flat and dry surface; Among them, the steps of performing rotation cleaning are: Sa1. Use deionized water for cleaning. Deionized water cleaning can effectively remove dust, impurities and water-soluble pollutants on the surface, keep the surface clean and pure, and provide a clean foundation for subsequent cleaning steps; Sa2, using organic solvent cleaning, organic solvent cleaning can effectively remove organic residues and grease on the surface, ensure that the surface is free of organic solvent pollution, and improve cleanliness; the organic solvent can be ethanol; Sa3, use acid and alkali solution cleaning, acid and alkali solution cleaning can remove the surface oxide layer and other chemical residues, improve the surface purity and chemical activity, and create good conditions for subsequent processing steps; Sa4, inert gas cleaning, inert gas cleaning is mainly to protect the surface from oxidation, while ensuring that the surface remains dry to prevent moisture and impurities in the air from affecting the surface; Through the steps of repeated cleaning, the surface will become clean and flat, and various pollutants and impurities will be removed, ensuring that the surface quality reaches a high standard, providing a good foundation for subsequent processing work and facilitating the smooth progress of the subsequent passivation layer deposition and gate dielectric layer processing; S4. Apply a passivation layer on the surface of the cleaned semiconductor material, select silicon nitride material, and use chemical vapor deposition and atomic layer deposition technology to deposit it, control the uniformity and thickness of the film, so as to reduce the generation of surface defects; ① Select chemical vapor deposition (CVD) technology for deposition, set the temperature, pressure and gas flow parameters of the CVD reaction chamber, select silicon oxide (SiO2) material as the passivation layer material, ensure quality stability, place the substrate surface in the CVD reaction chamber, and start the deposition process; ② Control uniformity and thickness. By controlling the air flow rate to be evenly distributed on the substrate surface, the uniform deposition of the passivation layer is ensured. The temperature of the reaction chamber is kept stable to avoid the influence of temperature gradient on deposition uniformity. The deposition time is controlled to achieve the set thickness to ensure that the passivation layer meets the design requirements. An atomic force microscope is installed to monitor the uniformity and thickness of the deposited film in real time. ③ Real-time monitoring and adjustment: regularly use ellipsometer or atomic force microscope tools to monitor the uniformity and thickness of the deposited layer, and make real-time feedback adjustments based on the monitoring results to adjust the gas flow, temperature and reaction time parameters to ensure the uniformity and thickness consistency of the film; ④ Ensure uniform deposition of the passivation layer by precisely controlling the parameters during the vapor deposition process to avoid uneven thickness or wrinkling. Through monitoring and adjustment, the desired thickness of the passivation layer is achieved to ensure surface stability and performance; By introducing virtual manufacturing technology, AI+big data technology is used to simulate and optimize the material selection, chemical vapor deposition and atomic layer deposition processes of the passivation layer to reduce the trial and error costs in the actual manufacturing process; Specifically, the specific steps of virtual manufacturing simulation of different passivation layer materials during chemical vapor deposition and atomic layer deposition are as follows: ① Establish model demand analysis: Determine simulation requirements, including properties of different passivation layer materials, such as crystal structure, band structure, surface activity, and interactions; Build the atomic model: Using computational chemistry software, an atomic-scale model was established to introduce the lattice structure of the passivation layer surface and substrate and the force field of atomic interaction; Determine the simulation parameters: Determine the parameters of chemical vapor deposition and atomic layer deposition processes required for simulation, such as temperature, pressure, gas flow, reaction rate; ②Introduction of AI and big data technologies: Data Collection and Processing: Collect characteristic data of different passivation layer materials, such as crystal structure, band structure, and surface activity; Use big data technology to process and analyze this data for application in simulation processes; Specifically, collect characteristic data of different passivation layer materials, including crystal structure, energy band structure, and surface activity, which can be obtained from experimental data, literature, databases and other channels, clean the original data, process missing values, outliers and duplicate data, ensure data quality, and integrate data from different sources into a data platform or data warehouse for subsequent processing and analysis; Extract useful features, perform feature selection, dimensionality reduction and other processing to better describe data and problems; Use machine learning algorithms to train AI models to accurately predict material reaction behaviors and coverage, use big data technology for data modeling and analysis, and apply machine learning, deep learning and other algorithms to mine the inherent relationships of data; Evaluate the established model and adjust model parameters to improve accuracy and generalization ability; ③AI model construction and training: Based on the collected data, AI models are built to predict the reaction kinetics and surface coverage of different materials during deposition. Specifically, the cleaned and processed dataset is divided into a training set and a test set for model training and verification; Select appropriate AI models based on problem requirements and data characteristics; Use the training set to train the AI ​​model and update the model parameters through algorithms such as back propagation; Use the test set to verify the model performance and tune the model based on the verification results to improve prediction accuracy and generalization ability; Assume that a decision tree algorithm is used to predict the deposition performance of the passivation layer material. The characteristics of the passivation layer material include crystal structure and band structure: In the model selection stage, a decision tree algorithm is used as a prediction model to train a decision tree model, using a training data set including characteristics such as the crystal structure and band structure of the passivation layer material, and model training is performed to predict the performance of the passivation layer; The basic formula of the decision tree model is as follows: [{Decision_Tree_Model} = \sum_{i=1}^{N}{w_i\cdotf_i(X)} ] where (w_i) is the weight of the leaf node, (f_i(X)) is the leaf node corresponding to the feature vector (X), the model is trained using the training data set, the model parameters are adjusted to best fit the data, and the model parameters are updated using algorithms such as loss function minimization or gradient descent; Take linear regression as an example: [{Loss} = \frac{1}{2N} \sum_{i=1}^{N}{(y_i - \hat{y}_i)^2} ] where ( y_i ) is the true value and ( \hat{y}_i ) is the model predicted value; Use the validation data set to evaluate the performance of the model, such as accuracy, and adjust the model parameters based on the validation results to prevent overfitting or underfitting. In the validation phase, use the validation data set to evaluate the accuracy of the decision tree model. If the accuracy is not ideal, adjust the model parameters or select other algorithms to optimize the model performance to improve the ability to predict the properties of the passivation layer material. S5. Introduce high dielectric constant materials as gate dielectric layers at the gate interface, including hafnium oxide and zirconium oxide, wherein the mixing ratio of hafnium oxide to zirconium oxide is 3:7, optimize deposition process parameters by adjusting deposition temperature and pressure, and repair interface defects through subsequent thermal annealing process, enhance gate control effect, and improve its switching characteristics; S6. According to the operating voltage and power level of the superjunction MOSFET, select the appropriate type of high dielectric constant material and calculate its optimal thickness, and design the structural parameters of the gate dielectric layer to achieve the best balance of device performance, such as monitoring the quality of the dielectric layer and determining the thickness through capacitance-voltage (CV) testing; S7. Characterize the electrical characteristics of the superjunction MOSFET after surface treatment and interface regulation to obtain the threshold voltage, subthreshold swing, and leakage current parameters; if these parameters meet the design goals of the superjunction MOSFET, then the surface and interface regulation process can be confirmed, otherwise further process optimization is required until the performance requirements are met.

[0018] This embodiment ensures that the surface quality reaches high standards through analysis and quantification of the surface roughness, defect density and interface trap density of the super junction MOSFET, as well as strict surface treatment processes (wet chemical cleaning and plasma cleaning), providing a good foundation for subsequent processes. Select silicon nitride as the passivation layer material and deposit it through chemical vapor deposition and atomic layer deposition technology, monitor and adjust the deposition process in real time to ensure the uniformity and thickness of the film, reduce the generation of surface defects, and improve the stability and performance of the device; Introducing high dielectric constant materials hafnium oxide and zirconium oxide as the gate dielectric layer, optimizing the mixing ratio, adjusting the deposition process and repairing interface defects through thermal annealing, enhancing the gate control effect, improving the switching characteristics, and helping to improve the performance and reliability of the device; The electrical characteristics of the superjunction MOSFET after surface treatment and interface regulation are characterized to obtain key parameters, and then evaluated according to the design goals, real-time monitoring and feedback adjustment are carried out to ensure that the device meets the design requirements and improve the controllability and stability of the manufacturing process.

Claims

1. A super junction MOSFET structure, characterized in that: include: The substrate is usually a silicon substrate, which serves as the basis of the device; A gate, the gate being made of polysilicon and used to control the conductivity of the channel; It also includes a super junction region, the super junction region is located above the surface of the substrate, the super junction region includes an N channel region and a P channel region, the N channel region has a higher doping concentration, the P channel region has a lower doping concentration, and is used to form a PN junction, the N channel and the P channel are alternately stacked, and the super junction region is connected to the substrate through the P channel and the N channel structure; The super junction region is covered with an insulating layer, the insulating layer is covered with a gate metal layer, and the gate metal layer is separated from the super junction region by the insulating layer; A floating carrier layer is arranged outside the super junction region.

2. A super junction MOSFET structure according to claim 1, characterized in that: The material of the N-channel region is N-type doped silicon, and the material of the P-channel region is P-type doped silicon.

3. A method for manufacturing a super junction MOSFET structure, applied to a super junction MOSFET structure according to any one of claims 1 to 2, characterized in that: The following steps are involved: S1. Obtain the surface roughness, surface defect density, and interface trap density of super junction MOSFET, analyze them through atomic force microscopy and scanning electron microscopy, and quantify them into parameters; S2. Surface and interface quality parameters obtained by threshold comparison. If the surface roughness exceeds 5 nanometers, the surface defect density exceeds 10^9 / cm^2, and the interface trap density exceeds 10^12 eV^-1cm^-2, it is determined that the surface and interface quality of the material do not meet the performance requirements of super junction MOSFET, and further surface treatment of the semiconductor material is required; S3. Perform wet chemical cleaning on the semiconductor materials that need to be improved to remove impurities and oxide layers, using deionized water, organic solvents, acid and alkali solutions, and inert gases for cleaning in turn; This step, through the steps of repeated cleaning, will make the surface clean and smooth, removing various pollutants and impurities; S4. Apply a passivation layer on the surface of the cleaned semiconductor material, select silicon nitride material, and use chemical vapor deposition and atomic layer deposition technology to deposit it, control the uniformity and thickness of the film, so as to reduce the generation of surface defects; S5. Introducing a high dielectric constant material as a gate dielectric layer at the gate interface, including hafnium oxide and zirconium oxide, wherein the mixing ratio of hafnium oxide to zirconium oxide is 3:7, optimizing the deposition process parameters by adjusting the deposition temperature and pressure, and repairing the interface defects by a subsequent thermal annealing process; S6. According to the operating voltage and power level of the super junction MOSFET, select the appropriate type of high dielectric constant material and calculate its optimal thickness, and design the structural parameters of the gate dielectric layer; S7. Characterize the electrical characteristics of the superjunction MOSFET after surface treatment and interface regulation to obtain the threshold voltage, subthreshold swing, and leakage current parameters.

4. A method for manufacturing a super junction MOSFET structure according to claim 3, characterized in that: The steps of performing the cleaning in turn in S3 are: Sa1. Use deionized water for cleaning. Deionized water cleaning can effectively remove dust, impurities and water-soluble pollutants on the surface; Sa2, using organic solvent cleaning, organic solvent cleaning can effectively remove organic residues and grease on the surface, ensure that the surface is free of organic solvent pollution, and improve cleanliness; the organic solvent can be ethanol; Sa3, use acid and alkali solution to clean, acid and alkali solution cleaning can remove the surface oxide layer and other chemical residues; Sa4. Inert gas cleaning is used to protect the surface from oxidation and ensure that the surface remains dry.

5. The method for manufacturing a super junction MOSFET structure according to claim 3, characterized in that: The process of S4 using chemical vapor deposition and atomic layer deposition technology to control the uniformity and thickness of the film is as follows: ① Select chemical vapor deposition (CVD) technology for deposition, set the temperature, pressure and gas flow parameters of the CVD reaction chamber, select silicon oxide (SiO2) material as the passivation layer material, place the substrate surface in the CVD reaction chamber, and start the deposition process; ② Control uniformity and thickness by controlling the air flow rate to evenly distribute it on the substrate surface, controlling the deposition time to achieve the set thickness, and installing an atomic force microscope to monitor the uniformity and thickness of the deposited film in real time; ③ Real-time monitoring and adjustment, regularly use ellipsometer or atomic force microscope tools to monitor the uniformity and thickness of the deposited layer; ④ By precisely controlling the parameters in the vapor deposition process, ensure uniform deposition of the passivation layer to avoid uneven thickness or wrinkling. Through monitoring and adjustment, achieve the desired thickness of the passivation layer.

6. A method for manufacturing a super junction MOSFET structure according to claim 3, characterized in that: S4 also introduces virtual manufacturing technology, which uses AI + big data technology to simulate and optimize the material selection, chemical vapor deposition and atomic layer deposition processes of the passivation layer to reduce the trial and error cost in the actual manufacturing process; Specifically, the specific steps of virtual manufacturing simulation of different passivation layer materials during chemical vapor deposition and atomic layer deposition are as follows: ① Establish model demand analysis: Determine simulation requirements, including properties of different passivation layer materials, including crystal structure, band structure, surface activity, and interactions; Build the atomic model: Using computational chemistry software, an atomic-scale model was established to introduce the lattice structure of the passivation layer surface and substrate and the force field of atomic interaction; Determine the simulation parameters: Determine the parameters of chemical vapor deposition and atomic layer deposition processes required for simulation, including temperature, pressure, gas flow, and reaction rate; ②Introduction of AI and big data technologies: Data Collection and Processing: Collect characteristic data of different passivation layer materials, including crystal structure, band structure, and surface activity; Use big data technology to process and analyze this data for application in simulation processes; ③AI model construction and training: Based on the collected data, an AI model is built to predict the reaction kinetics and surface coverage of different materials during the deposition process.

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