| 4H-SiC材料中刃型位错的仿真模拟研究 |
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| 引用本文： | 黄鹤,张玉明,汤晓燕,张义门,苗瑞霞.4H-SiC材料中刃型位错的仿真模拟研究[J].航空计算技术,2011,41(1):57-59,65. |
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| 作者姓名： | 黄鹤 张玉明 汤晓燕 张义门 苗瑞霞 |
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| 作者单位： | 西安电子科技大学,微电子学院,宽禁带半导体技术国防重点学科实验室,陕西,西安,710071 |
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| 基金项目： | 国家自然科学基金资助项目，预研基金资助项目，中央高校基本科研业务费资助项目 |
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| 摘 要： | 根据4H-SiC刃型位错的特点,在Castep软件中建立了6×6×1的刃型位错模型。基于第一性原理,利用Castep程序对刃型位错的相关性质进行了计算,并与完整晶格的模拟结果进行了对比。结果表明在引入刃型位错之后,4H-SiC材料的带隙变窄,在靠近导带底部态密度出现了一个新的峰值,这主要是由位错芯处的悬挂键在禁带中引入了一个缺陷能级所致。
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| 关 键 词： | 4H-SiC 刃型位错 第一性原理 |
Simulation of Threading Edge Dislocations in 4H-SiC |
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| HUANG He,ZHANG Yu-ming,TANG Xiao-yan,ZHANG Yi-men,MIAO Rui-xia.Simulation of Threading Edge Dislocations in 4H-SiC[J].Aeronautical Computer Technique,2011,41(1):57-59,65. |
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| Authors: | HUANG He ZHANG Yu-ming TANG Xiao-yan ZHANG Yi-men MIAO Rui-xia |
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| Institution: | (Xidian University,Xi′an 710071,China) |
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| Abstract: | A model of threading edge dislocation(TED) of 4H-SiC scaled 6×6×1 is presented in Castep Simulator.By adopting this software,the relative properties of TED are obtained and analyzed based on the first–principle.It is found that the bandgap become narrow and a new little peak appeared in the density of states at the bottom of conduction band compared to the ideal crystal lattice.It is due to the existence of dangling bonds to introduce a dislocation energy level in forbidden band nearby the bottom of conduction band. |
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| Keywords: | 4H-SiC |
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