Effective mass anisotropy of Si-Ge alloys: a discussion of the effective mass tensor

Song Yanxing; Chai Changchun; Fan Qingyang; Zhang Wei; Yang Yintang

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Effective mass anisotropy of Si-Ge alloys: a discussion of the effective mass tensor

机译：Si-GE合金的有效肿块各向异性：对有效质量张量的讨论

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In this work, the stability, mechanical properties, mechanical anisotropy properties, electronic properties and effective mass anisotropy ofC2/m-20 Si1-xGex(x = 0, 0.2, 0.4, 0.6, 0.8, 1) are studied throughab initiocalculations. 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 theE-krelation 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 lowest effective mass can be quickly found while the amount of calculation is greatly reduced. This is of great significance for research on the carrier transport properties of materials. Extremely low hole effective masses is found in a novel phase of germanium with a hole effective mass of 0.017m(0)in [001] direction. This indicates thatC2/m-Ge(20)has a very high carrier mobility in [001] direction which have a great impact on the field of electronic devices.

机译：本文通过从头计算研究了C2/m-20 Si1 xGex（x=0,0.2,0.4,0.6,0.8,1）的稳定性、力学性能、力学各向异性、电子性能和有效质量各向异性。有效质量是衡量半导体输运性质的重要指标。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。通过增加对载流子相对论可微性的讨论，确定其泰勒展开式的合理性，以判断有效质量张量的可行性。避免了有效质量张量的误用，使研究人员能够在分析有效质量各向异性时获得更准确可靠的结果。通过有效质量张量法和遍历法的结合，可以快速找到最低有效质量，同时大大减少了计算量。这对研究材料的载流子输运性质具有重要意义。在[001]方向空穴有效质量为0.017m（0）的锗新相中发现了极低的空穴有效质量。这表明C2/m-Ge（20）在[001]方向上具有非常高的载流子迁移率，这对电子器件领域有很大的影响。

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来源
《Physica Scripta: An International Journal for Experimental and Theoretical Physics》 |2020年第11期|共13页
作者
Song Yanxing; Chai Changchun; Fan Qingyang; Zhang Wei; Yang Yintang;
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作者单位

Xidian Univ Sch Microelect Xian 710071 Peoples R China;

Xidian Univ Sch Microelect Xian 710071 Peoples R China;

Xian Univ Architecture &

Technol Sch Informat &

Control Engn Xian 710055 Peoples R China;

Xidian Univ Sch Microelect Xian 710071 Peoples R China;

Xidian Univ Sch Microelect Xian 710071 Peoples R China;

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原文格式 PDF
正文语种 eng
中图分类物理学;
关键词
ab initio calculations; effective mass tensor; anisotropy; elasticity modulus; Si-Ge alloys;

机译：AB Initio计算;有效的质量张量;各向异性;弹性模量;Si-Ge合金;

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Effective mass anisotropy of Si-Ge alloys: a discussion of the effective mass tensor

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