Strain tuned thermal conductivity reduction in Indium Arsenide (InAs) – A first-principles study
Strain tuned thermal conductivity reduction in Indium Arsenide (InAs) – A first-principles study
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DOI：
10.1016/j.commatsci.2021.110531
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发表时间：
2021-08
影响因子：
3.3
通讯作者：
Rajmohan Muthaiah;J. Garg
中科院分区：
文献类型：
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作者：
Rajmohan Muthaiah;J. Garg
铟半导体是一种很有前途的热电器件材料。热电材料的效率可以通过最小化晶格热导率(K)来提高。利用第一性原理计算，在双向压缩应变为3%的情况下，砷化铟(InAs)的面内热导率降低了约20%。在300K下，对无应变砷化铟(InAs)计算的体热导率为33.85Wm−1K−1，对于3%双向应变InAs计算的体热导率为27Wm−1K−1。系统地分析了外加双轴应变对声子纵模和横模的声子群速度和声子散射率的影响。我们的结果为通过双轴应变来调节材料的导热系数提供了启示。
Indium based semiconductors are promising materials for thermoelectric devices. Efficiency of a thermoelectric material can be improved by minimizing the lattice thermal conductivity (k). Using first-principles calculations, we report ~20% reduction in in-plane thermal conductivity of Indium arsenide (InAs) with 3% biaxial compressive strain. At 300 K, the bulk thermal conductivity of 33.85 Wm−1K−1computed for unstrained indium arsenide (InAs) is reduced to 27 Wm−1K−1for the 3% biaxially strained InAs. Systematic analysis of the effect of applied biaxial strain on phonon group velocities and phonon scattering rates of longitudinal (LA) and transverse (TA) acoustic phonon modes is carried out. Our results shed a light on modulating thermal conductivity of materials through biaxial strain.