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Ab initio Calculation of Valence-band Offsets for Lattice-matched Heterojunctions

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AbinitioCalculationof_省略_atchedHeterojun.pdf (2.293Mb)
Date
1993-03
Author
王仁智
黄美纯
柯三黄
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  • 物理技术-已发表论文 [4196]
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Abstract
【中文摘要】 <正> In the light of our previous result that the average bond energy E_h valuelines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete-rojunctions have been calculated using the E_h as a reference level with the LMTO-ASAband-structure method.The calculated results are in excellent agreement with those fromthe more elaborate first-principles self-consistent interface calculations.As the presentmethod requires by far the smaller computational effort,it is very convenient fo... 【英文摘要】 In the light of our previous result that the average bond energy E_h value lines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete- rojunctions have been calculated using the E_h as a reference level with the LMTO-ASA band-structure method.The calculated results are in excellent agreement with those from the more elaborate first-principles self-consistent interface calculations.As the present method requires by far the smaller computational effort,it is very convenient f...
Citation
Science in China,Ser.A, 中国科学A辑(英文版),1993(3):319-325
URI
https://dspace.xmu.edu.cn/handle/2288/9805

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