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不同晶面与应变状态下Si/Ge应变异质界面的价带能量不连续性

柯三黄 黄美纯 王仁智

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不同晶面与应变状态下Si/Ge应变异质界面的价带能量不连续性

柯三黄, 黄美纯, 王仁智
cstr: 32037.14.aps.45.107

VALENCE-BAND OFFSETS AT St/Ge STRAINED HETEROINTERFACES UNDER DIFFERENT STRAIN CONDITIONS

KE SAN-HUANG, HUANG MEI-CHUN, WANG REN-ZHI
cstr: 32037.14.aps.45.107
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  • 结合应变异质界面能带排列的平均键能理论和形变势方法,确定了三种不同衬底上生长的Si/Ge系统在(001)和(110)两种不同晶面上的价带能量不连续值(Ev)得出了Si/Ge系统的Ev值随其衬底Si1-xGex的组分x变化的定量关系结果表明,Si/Ge系统价带平均能量的不连续性(Ev,av)基本不随应变状态的不同而变化,而最高价带的Ev值则表现出对弹性应变的高度敏感性(变化量约达0.5eV),此效应主要来源于单轴应力对价带结构的影响.Si/Ge系统在(001)面和(10)面上的Ev值略有差别,表现出弱的晶格取向的相关性本文对(001)面的计算结果与新近的归一保持赝势方法的大型超原胞计算结果以及相关的实验值相当一致.
    This paper presents a theoretical determination of valence-band offsets (VBO' s) on (001 ) and (110) interfaces for St/Ge system under different strain conditions, by making use of an average bond energy theory in conjunction with a deformation potential method. The quantitative relationship between the VBO's and the strain condition (characterized by the composition x in substrate Si1-xGex ) is demonstrated. It is shown that the discontinuity be tween the two average valence-band energies is affected little by the strain condition, while,the discontinuity between the two tops of valence-band has a sensitive dependance on the strain condition, and this effect is mainly due to the alteration of the valence-band structure induced by the uniaxial stress. It is found that the VBO value on (110) interface is somewhat smaller than those on (001 ) interface. i. e., there is a weak relevance to the lattice orienta tion. Present results of VBO's are 0. 74 eV for Ge on St(001 ) and 0. 22 eV for St on Ge(001 ), in very good agreement with experimental data:(0. 74 + 0. 13) eV and (0. 17 + 0. 13)eV, respectively.
    • 基金项目: 福建省自然科学基金,国家自然科学基金
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  • 文章访问数:  9415
  • PDF下载量:  524
  • 被引次数: 0
出版历程
  • 收稿日期:  1994-08-01
  • 刊出日期:  1996-01-20

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