First-principles calculation on the concentration of intrinsic defects in 4H-SiC

被引：0

作者：

程萍 ^{[1
]}

张玉明 ^{[2
]}

张义门 ^{[2
]}

机构：

[1] School of Information and Engineering,Ningbo Dahongying University

[2] Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices,School of Microelectronics,Xidian

来源：

Journal of Semiconductors | 2013年 / 34卷 / 01期

关键词：

D O I：

暂无

中图分类号：

TN304.24 [];

学科分类号：

摘要：

Based on the first-principles pseudopotentials and the plane wave energy band method,the supercells of perfect crystal 4H-SiC and those with intrinsic defects VC,VSi,VC-C and VC-Si were calculated.Ignoring the atomic relaxations,the results show that the formation energy of intrinsic defects is ranked,from low to high,as VC,VC-C,VSi to VSi-Si at 0 K.The equilibrium concentration of each intrinsic defect can be deduced from the formation energy of each intrinsic defect.The concentration ranks,from high to low,as VC,VC-C,VSi,VSi-Si,which is in accordance with the ESR and PL results.The stabilizing process of metastable defects VSi converting to VC-C was explained by formation energy.

引用

页码：16 / 19

页数：4

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