Cluster calculation of boron impurities in cubic SiC, substituting for Si and C sites

被引：9

作者：

Petrenko, TL ^{[1
]}

Teslenko, VV ^{[1
]}

Bugai, AA ^{[1
]}

Khavryutchenko, VD ^{[1
]}

Klimov, AA ^{[1
]}

机构：

[1] NATL ACAD SCI,INST SURFACE CHEM,UA-252028 KIEV,UKRAINE

来源：

SEMICONDUCTOR SCIENCE AND TECHNOLOGY | 1996年 / 11卷 / 09期

关键词：

D O I：

10.1088/0268-1242/11/9/007

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Comparison calculation of boron impurities, substituting for Si and C sites in cubic SiC, is performed in the framework of the cluster MNDO method. Impurity site preference, equilibrium geometry, potential energy surface, reorientation barriers, Franck-Condon shift, spin and charge density distribution and hyperfine parameters are under consideration. The reasonable values of all calculated parameters support the model of a Jahn-Teller centre with strong coupling for the B-Si impurity. Calculations predict the B-C impurity to be the effective-mass-like acceptor.

引用

页码：1276 / 1284

页数：9

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