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Elastic constants and acoustical phonon properties of GaAs_xSb_(1-x)

机译：GaAs_xSb_（1-x）的弹性常数和声子性质

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摘要

Elastic constants of zinc-blende GaAs_xSb_(1-x) are calculated from the framework of the pseudopotential method within the virtual crystal approximation combined with the bond-orbital model of Harrison. These constants are used to calculate the sound wave velocities propagating in different directions in the material of interest. A particular attention has been devoted to the effect of compositional disorder. For this purpose, a correction to the alloy potential has been introduced. Numerically calculated values show reasonable agreement with known data. Comparisons between our results and those of interpolation schemes reported in previous studies suggest that the applicability of the linear interpolation approaches for the properties being studied for the alloy under consideration is possible.
机译：在虚拟晶体近似与哈里森的键轨道模型相结合的基础上，根据拟电位方法的框架，计算了闪锌矿型GaAs_xSb_（1-x）的弹性常数。这些常数用于计算在感兴趣的材料中沿不同方向传播的声波速度。已经特别注意了组成障碍的作用。为此目的，已经引入了对合金电位的校正。数值计算值与已知数据显示出合理的一致性。我们的结果与先前研究中报告的插值方案之间的比较表明，线性插值方法对于所研究合金的性能的适用性是可能的。

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