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A three-dimensional atomic structure model of 4h-sic material with 8° off-angle and its construction method and application

An atomic structure, 4h-sic technology, applied in special data processing applications, 3D modeling, instruments, etc., can solve the problem of deviation between the simulation model and the actual situation, and achieve the effect of wide application, simple steps, and easy steps.

Active Publication Date: 2019-06-21
GLOBAL ENERGY INTERCONNECTION RES INST CO LTD +2
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0004] When the researchers used the first principles to analyze the contact principle of the contact surface between silicon carbide and the dielectric layer, they found that since there is no 8° off-angle atomic model of the 4H-SiC material, the 4H-SiC material atomic model without off-angle is generally used for construction. Model and simulation, the simulation model obtained in this way deviates from the actual situation, and the simulation results can only be used as a reference under ideal conditions

Method used

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  • A three-dimensional atomic structure model of 4h-sic material with 8° off-angle and its construction method and application
  • A three-dimensional atomic structure model of 4h-sic material with 8° off-angle and its construction method and application
  • A three-dimensional atomic structure model of 4h-sic material with 8° off-angle and its construction method and application

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Effect test

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...

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Abstract

The invention provides a 4H-SiC three-dimensional atomic structure model with a deflection angle of 8 degrees, a construction method therefor and an application thereof. The model is a periodically repeated structure of a 4H-SiC hexagonal crystal cell, and crystal cell parameters are as follows: a is equal to 3.08A+ / -0.5%, b is equal to 3.08A+ / -0.5%, c is equal to 10.06A+ / -0.5%, alpha is 90 degrees, beta is 90 degrees, gamma is 120 degrees, the crystal cell is composed of a tetrahedron with a silicon atom in the center, the length of a carbon-silicon bond is 1.89A, and an upper surface edge (0001) of the model faces to <1120> and deflects by 8 degrees; the model is constructed in a computer-assisted mode, the method is simple and feasible in step, and the model is constructed completely with a silicon carbide surface treatment method in a practical production process; the 4H-SiC three-dimensional atomic structure model with the deflection angle of 8 degrees can be applied to research of a silicon carbide oxidation principle, silicon carbide ohmic contact and interfaces of silicon carbide materials, such as silicon carbide epitaxies and the like, and other materials; and compared with a commonly used deflection angle-free atomic model, the 4H-SiC three-dimensional atomic structure model with the deflection angle of 8 degrees is closer to practical application, a research result is closer to a practical situation, and a reference value is higher.

Description

technical field [0001] The invention relates to a three-dimensional atomic structure model of a SiC material, in particular to a three-dimensional atomic structure model of a 4H-SiC material with an 8° off-angle and its construction method and application. Background technique [0002] Silicon carbide has become a popular semiconductor material in high-power, high-temperature, high-voltage applications due to its high critical field strength and large band gap. Compared with similar silicon devices, the on-resistance of silicon carbide devices is two orders of magnitude smaller, the operating frequency is 10 times that of silicon, the radiation tolerance is 10 times that of silicon, and the voltage that a single device can withstand can reach 10 times that of silicon devices. , The chip power density can reach 10 to 30 times that of silicon devices. Compared with silicon modules, the volume and weight of silicon carbide modules can be reduced by 80%, and the system loss can ...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G06F17/50G06T17/00
CPCG06F30/20G06T17/00
Inventor 王方方李玲杨霏郑柳李永平朱韫晖吴昊夏经华
Owner GLOBAL ENERGY INTERCONNECTION RES INST CO LTD
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