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Tight-binding studies of crystal stability and defects in Bi2Te3

9315103022 添加于 2012-8-7 13:46 | 1504 次阅读 | 0 个评论

作者
Pecheur P
摘要
The stability of the crystal structure and the electronic state of isolated point defects have been studied in Bi 2 Te 3 . The structure is related to p -bonding, giving a basic cubic cell further stabilized by the formation of units of five layers of planes along the axis of the cubic cell. The impurities are treated via the Lifshits-Koster-Slater method. Antistructure defects appear as single donors (Te Bi ) or single acceptors (Bi Te ). Vacancies are strong perturbations: V Te are double donors and V Bi are triple acceptors. The impurities of column IV when substituted for Te give a resonance (or bound state) close to the gap. Their electrical activity may then vary from double acceptor to inactive.
详细资料
- 文献种类:期刊
- 期刊名称: Journal of Physics and Chemistry of Solids
- 期卷页: 第55卷第4期 327-338页
- ISBN: 0022-3697
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附件
Tight-binding studies of crystal stability and defects in Bi2Te3
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