| 一种基于第一性原理的4H-SiC结构缺陷计算模型 |
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| 引用本文： | 高春燕,李德昌,张玉明,汤晓燕,苗瑞霞. 一种基于第一性原理的4H-SiC结构缺陷计算模型[J]. 科技信息, 2009, 0(29): 50-51 |
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| 作者姓名： | 高春燕 李德昌 张玉明 汤晓燕 苗瑞霞 |
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| 作者单位： | [1]西安电子科技大学微电子学院宽禁带半导体材料与器件重点实验室,陕西西安710071 [2]陕西青年职业学院数字信息技术系,陕西西安710068 [3]西安电子科技大学理学院,陕西西安710071 |
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| 摘 要： | 本文运用基于密度泛函理论（DFT）的第一性原理计算方法，根据原子尺度上的缺陷特性研究了4H—SiC的位错结构模型，并对4H—SiC基面位错的结构进行分析。建立了一种模型。文章简要介绍了4H-SiC材料中结构缺陷的分子动力学模拟方法，势能模型及主要技术细节。
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| 关 键 词： | 4H-SiC 缺陷模型 第一性原理计算 |
Model of Simulatations of Structure Defects in 4H-SiC With First-priniciples Calculation |
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| Affiliation: | GAO Chun-yan LI De-chang (1.School of Microelectronics, Xidian University,Key Laboratory of Wide Band-Gap Semiconductor Materials and Devices, Xi ＇an Shanxi, 710071, China;2.Department of Digital Information and Techniques, shannxi Youth Vocational College, Xi＇an Shanxi, 710068, China; 3.Department of Science, Xidian Univ., Xi ＇an Shanxi ,710071,China) |
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| Abstract: | In this paper, Based on the first-priniciples calculation （DF-f）, I have proposed a new defects model that can use to analysis state density, band gap structure and transform of BPDS in the 4H-SiC bomoepitaxial layers, Which lead to improve capability of SiC p-i-n diodes . Also, Article briefly describes the structure defects in 4H-SiC with molecular dynamics simulation method, potential energy model and mostly technique details. |
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| Keywords: | 4H-SiC Defects simulation First-priniciples calculation |
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