4H-SiC three-dimensional atomic structure model with deflection angle of 8 degrees, construction method therefor and application thereof
An atomic structure, 4h-sic technology, applied in special data processing applications, 3D modeling, image data processing, etc., can solve the problem of deviation between the simulation model and the actual situation, and achieve wide application, simple steps, and easy steps Effect
- Summary
- Abstract
- Description
- Claims
- Application Information
AI Technical Summary
Problems solved by technology
Method used
Image
Examples
Embodiment 1
[0073] A 4H-SiC material 8° off-angle single-step three-dimensional atomic structure model, the computer-aided modeling method is as follows:
[0074] (1) Establish a three-dimensional atomic structure model of the 4H-SiC unit cell, such as figure 1 As shown, the three-dimensional atomic structure model of the 4H-SiC unit cell can be directly called from the model library, or can be drawn by itself according to the space group, lattice parameters, and atomic coordinates of the 4H-SiC unit cell. The 4H-SiC material has a hexagonal crystal structure cells, with lattice constants: α=90°, β=90°, γ=120°;
[0075] (2) Based on the 4H-SiC unit cell, establish the supercell model of 4H-SiC. The supercell model of 4H-SiC is the three-dimensional periodic repetition of the 4H-SiC unit cell in the x, y and z directions, x, y and the numerical value of z direction can be determined according to the size of required supercell, for example can select x=12, y=12, z=2, as figure 2 show...
Embodiment 2
[0081] A 4H-SiC material 8° off-angle double-step three-dimensional atomic structure model, the computer-aided modeling method is as follows:
[0082] (1) Establish a three-dimensional atomic structure model of the 4H-SiC unit cell, such as figure 1 As shown, the three-dimensional atomic structure model of the 4H-SiC unit cell can be directly called from the model library, or can be drawn by itself according to the space group, lattice parameters, and atomic coordinates of the 4H-SiC unit cell. The 4H-SiC material has a hexagonal crystal structure cells, with lattice constants: α=90°, β=90°, γ=120°;
[0083] (2) Based on the 4H-SiC unit cell, establish the supercell model of 4H-SiC. The supercell model of 4H-SiC is the three-dimensional periodic repetition of the 4H-SiC unit cell in the x, y and z directions, x, y The numerical value of and z can be determined according to the size of required supercell, for example can select x=12, y=12, z=2, as figure 2 shown;
[008...
Embodiment 3
[0090] A method for studying the epitaxial growth of silicon carbide with 8° off-angle single-step three-dimensional atomic structure of 4H-SiC material is as follows:
[0091](1) Establish a three-dimensional atomic structure model of 4H-SiC material with 8° off-angle single step;
[0092] (2) Using the silicon surface as the adsorption surface, place silicon atoms at different positions on the surface, perform structural optimization and calculation of formation energy, and compare the positions where silicon atoms are more likely to be adsorbed (mainly distinguishing the places near the steps and away from the steps);
[0093] (3) In the same way, place carbon atoms at different positions on the surface of silicon carbide with steps, perform structural optimization and calculation of formation energy, and compare the positions where carbon atoms are more likely to be adsorbed (mainly distinguishing between steps near and away from steps);
[0094] (4) Then place carbon atom...
PUM
Login to view more Abstract
Description
Claims
Application Information
Login to view more - R&D Engineer
- R&D Manager
- IP Professional
- Industry Leading Data Capabilities
- Powerful AI technology
- Patent DNA Extraction
Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic.
© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap