Theoretical Studies of Vanadium Impurity in β-SiC

机译：β-SiC中钒杂质的理论研究

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In the present theoretical study the attempt was undertaken to estimate chemical bonding and lattice distortions caused by the vanadium impurity in silicon carbide. The calculation is based on the cluster X_α-DV and tight-binding theory within Harrison bonding orbital methods. Results on vanadium are compared with Ti and Ni 3d-impurties. It is found that vanadium atoms can substitute both Si and C and have a local magnetic moment, while Ti and Ni atoms are in the nonmagnetic state.

机译：在当前的理论研究中，尝试估算由碳化硅中的钒杂质引起的化学键和晶格畸变。该计算基于哈里森键合轨道方法中的簇X_α-DV和紧密结合理论。将钒的结果与Ti和Ni 3d杂质进行了比较。发现钒原子可以同时取代Si和C并具有局部磁矩，而Ti和Ni原子处于非磁性状态。

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来源
《International Conference on Silicon Carbide and Related Materials 2001 Pt.1 Oct 28-Nov 2, 2001 Tsukuba, Japan》|2001年|p.577-580|共4页
会议地点 Tsukuba(JP);Tsukuba(JP)
作者
Yu.M. Tairov; S.A. Reshanov; I.I. Parfenova; E.I. Yuryeva; A.L. Ivanovskii;
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作者单位

St.-Petersburg State Electrotechnical University, Prof. Popov 5, RU-197376 St. Petersburg, Russia;

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会议组织
原文格式 PDF
正文语种 eng
中图分类无线电电子学、电信技术;
关键词
electronic structure; impurity localization; magnetic state; nickel; titanium; vanadium;

机译：电子结构;杂质定位;磁态;镍;钛;钒;

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1. Titanium, Vanadium, and Nickel Impurities in 3C-SiC: Electronic Structure and Lattice Relaxation Effects [J] . N. I. Medvedeva, E. I. Yuryeva, A. L. Ivanovskii Semiconductors . 2002,第7期

机译：3C-SiC中的钛，钒和镍杂质：电子结构和晶格弛豫效应
2. Ab Initio Electronic Structure Calculation of Vanadium Impurity in 3C-SiC [J] . E. I. YURYEVA, A. L. IVANOVSKII, S. A. RESHANOV Journal of Wide Bandgap Materials . 2000,第2期

机译：3C-SiC中钒杂质的从头算电子结构计算
3. Ab Initio Electronic Structure Calculation of Vanadium Impurity in 3C-SiC [J] . E. I. YURYEVA, A. L. IVANOVSKII, S. A. RESHANOV Journal of Wide Bandgap Materials . 2000,第2期

机译：3C-SiC中钒杂质的从头算电子结构计算
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Theoretical Studies of Vanadium Impurity in β-SiC

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