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物理学报. 1994, 43(1): 103-109.
doi: 10.7498/aps.43.103.
应变层半导体超晶格价带边不连续性的第一原理研究
- 收稿日期: 1993-03-23
- 刊出日期: 1994-01-20
摘要: 对处于不同应变状态下的超晶格（ＧａＰ）１（ＧａＡｓ）１（００１），（ＩｎＰ）n（ＩｎＡｓ）n（００１）（ｎ＝１，３）的电子结构进行了从头自洽计算。采用冻结势方法分析了超晶格各分子层的价带顶Ｅv和平均键能Ｅm的行为，对以Ｅm为能量参考的应变层超晶格价带边不连续值计算方法作了较全面的第一原理的数值检验，基于这一方法，本文分别对ＩｎＰ，ＩｎＡｓ，ＧａＰ，ＧａＡ
English Abstract
THEORETICAL STUDIES ON THE VALENCE-BAND OFFSETS AT STRAINED SEMICONDUCTOR SUPERLATTICES
- Received Date:
23 March 1993
- Published Online:
20 January 1994
Abstract: Ab initio calculations of electronic structure for strained superlattices (SLS) （ＧａＰ）１（ＧａＡｓ）１（００１） and （ＩｎＰ）n（ＩｎＡｓ）n（００１）（ｎ＝１，３） are carried out, the valence-band maximum Ev and the average bond energy Em in each molecular layer of SLS's are investigated with the frozen shape approach. The average-bond-energy method for determining valence-band offsets at SLS's are suggestted and tested comprehensively. Based on this method, the valence-band offsets at five SLS's under three strain conditions are determined, their strain-induced effects are discussed. The results of present work show good consistency with available experimental data.
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