静水压力
热电效应
材料科学
压力(语言学)
凝聚态物理
热电材料
调制(音乐)
工程物理
复合材料
热力学
物理
热导率
语言学
哲学
声学
作者
Yang Xiang,Yi Sun,Jianbo Hu
摘要
This paper investigates a systematic theoretical study of the lattice dynamical, electronic, and thermoelectric transport properties of PbTe, which is subjected to hydrostatic pressure and uniaxial stress along the [100], [110], and [111] directions, by using first-principles calculations. Our study demonstrates that stress is an effective tool for regulating thermoelectric properties in materials, and different types of stress affect these properties through distinct mechanisms. Specifically, under hydrostatic pressure and uniaxial stress along the [100] direction, PbTe exhibits similar electronic behavior but different lattice dynamical properties. Bandgap closure and reopening are observed under hydrostatic pressure and uniaxial stress along the [100] direction, whereas only the gap opposite trends are seen for uniaxial stress along the [110] and [111] directions. Under uniaxial stress along the [100] direction, phonon lifetimes decrease, leading to low thermal conductivity. In contrast, under hydrostatic pressure and uniaxial stress in the [110] and [111] directions, phonon lifetimes are enhanced due to a weakening of the anharmonic effect. Our findings provide a comprehensive understanding of the implication of different stress types on the thermoelectric properties of PbTe.
科研通智能强力驱动
Strongly Powered by AbleSci AI