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Three-dimensional atomic structure model made from 4H-SiC material and having deflection angle of 4 degrees as well as construction method and application therefor

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

Active Publication Date: 2016-01-20
GLOBAL ENERGY INTERCONNECTION RES INST CO LTD +2
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  • 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 4° 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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  • Three-dimensional atomic structure model made from 4H-SiC material and having deflection angle of 4 degrees as well as construction method and application therefor
  • Three-dimensional atomic structure model made from 4H-SiC material and having deflection angle of 4 degrees as well as construction method and application therefor
  • Three-dimensional atomic structure model made from 4H-SiC material and having deflection angle of 4 degrees as well as construction method and application therefor

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Experimental program
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Effect test

Embodiment 1

[0059] A three-dimensional atomic structure model of a 4H-SiC material with a 4° off-angle, and its computer-aided construction method is as follows:

[0060] (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 cell, with cell parameters: α=90°, β=90°, γ=120°;

[0061] (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=26, y=26, z=2, as figure 2...

Embodiment 2

[0067] A method for studying the epitaxial growth of silicon carbide with a 4° off-angle three-dimensional atomic structure model of 4H-SiC material is as follows:

[0068] (1) Establish a three-dimensional atomic structure model of 4H-SiC material with 4° off-angle;

[0069] (2) Using the silicon surface as the adsorption surface, place silicon atoms at different positions on the surface, conduct 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 the places far away from the steps).

[0070] (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 distinguish between near the steps and away from the steps).

[0071] (4) Place carbon atom...

Embodiment 3

[0074] A research method and control method for silicon carbide surface defects using a 4H-SiC material 4° off-angle three-dimensional atomic structure model, as follows:

[0075] (1) Establish a three-dimensional atomic structure model of 4H-SiC material with 4° off-angle;

[0076] (2) Establish the possibility of various defects on the basis of the model, such as: triangle defect, carrot defect, downfall, comet tail defect, etc., optimize their structure, calculate the formation energy, and compare the difficulty of defect formation, Analyze the effect of steps on defect formation.

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Abstract

The invention provides a three-dimensional atomic structure model made from a 4H-SiC material and having a deflection angle of 4 degrees as well as a construction method and an application therefor. The model adopts a periodic repetition structure of a 4H-SiC hexagonal crystal cell; crystal cell parameters are as follows: a, b and c are defined in the specification, alpha is 90 degrees, beta is 90 degrees, and gamma is 120 degrees; the crystal cell is composed of a tetrahedron with silicon atoms in the center; the length of a silicon-carbon bond is defined in the specification; the upper surface of the model is deflected by 4 degrees in a direction defined in the specification; the model is constructed by computer assistance; the method is simple and feasible in step; the model is constructed with a processing method for a SiC surface in an actual production process completely; the three-dimensional atomic structure model made from the 4H-SiC material and having the deflection angle of 4 degrees can be applied to researches of SiC oxidation principles, SiC ohmic contact and interfaces of SiC materials, such as SiC epitaxy and the like, and other materials; a relatively common atomic model without a deflection angle is closer to an actual application; a research result is closer to an actual situation; and reference values are 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 a 4° 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 b...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50
Inventor 李玲王方方李永平郑柳刘瑞夏经华田亮杨霏
Owner GLOBAL ENERGY INTERCONNECTION RES INST CO LTD
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