In this work, the stability, mechanical properties, mechanical anisotropy properties, electronic properties and effective mass anisotropy of C 2/ m -20 Si 1- x Ge x ( x = 0, 0.2, 0.4, 0.6, 0.8, 1) are studied through ab initio calculations. Effective mass is an important index to measure the transport properties of semiconductor. The analysis of effective mass anisotropy can provide theoretical basis for the design of crystal orientation of semiconductor devices. By increasing the discussion of the differentiability of the E - k relation of carriers, the rationality of its Taylor expansion is determined to judge the feasibility of the effective mass tensor. Avoiding the misuse of the effective mass tensor enables researchers to obtain more accurate and reliable results in the analysis of the effective mass anisotropy. Through the combination of the effective mass tensor method and the traversal method, the lo...

中文翻译：

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Si-Ge合金的有效质量各向异性：有效质量张量的讨论

在这项工作中，研究了C 2 / m -20 Si 1-x Ge x（x = 0，0.2，0.4，0.6，0.8，1）的稳定性，机械性能，机械各向异性，电子性能和有效质量各向异性。通过从头算起。有效质量是衡量半导体传输性能的重要指标。有效质量各向异性的分析可以为半导体器件的晶体取向设计提供理论依据。通过增加对载流子E-k关系微分的讨论，确定泰勒展开的合理性，以判断有效质量张量的可行性。避免滥用有效质量张量，可使研究人员在分析有效质量各向异性时获得更准确和可靠的结果。