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Single‐stage calculation of the total energy of compositionally modulated III‐V alloys

机译:成分调制III连字符V合金总能量的单级连字符;级计算

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摘要

We consider ternary and quaternary III‐V alloys whose constituent binaries are not lattice matched. The change in energy associated with the development of a composition modulation in these alloys is calculated in a single stage, without splitting it artificially between hypothetical ‘‘chemical’’ and ‘‘elastic’’ parts, as done up to now. The calculation, which consists of a numerical minimization of the microscopic elastic energy of the valence force field model, is illustrated for InxGa1−xAs. For most modulations along low index axes, the total energy is found close to the energy calculated by the two‐stage procedure. This confirms the stabilization by strain of the bulk III‐V alloys, justifies the use of a strain‐independent ‘‘chemical’’ energy in the description of inhomogeneous alloys, and strengthens our earlier demonstration of the reduced stability of the thin epitaxial layers of these alloys.
机译:我们考虑了三元和四元III&连字符V合金,其组成二元不匹配晶格。与这些合金中成分调制的发展相关的能量变化是在单个阶段计算的,而不是像现在这样在假设的“化学”和“弹性”部件之间人为地将其分开。该计算包括价力场模型的微观弹性能的数值最小化,并针对InxGa1−xAs进行了说明。对于沿低折射率轴的大多数调制,总能量接近于通过双连字符阶段程序计算的能量。这证实了块状III&连字符V合金的应变稳定性,证明了在不均匀合金的描述中使用与应变无关的“化学”能量是合理的,并加强了我们之前关于这些合金薄外延层稳定性降低的证明。

著录项

  • 来源
    《journal of applied physics》 |1989年第4期|1667-1670|共页
  • 作者

    Frank Glas;

  • 作者单位
  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 英语
  • 中图分类
  • 关键词

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