Thermoelectric properties of SnSe (Pnma) under hydrostatic pressure

被引：6

作者：

Gusmao, M. S. ^{[1
]}

Mota, C. ^{[2
]}

Ghosh, Angsula ^{[1
]}

Frota, H. O. ^{[1
]}

机构：

[1] Univ Fed Amazonas, Dept Phys, BR-69077000 Manaus, Amazonas, Brazil

[2] Univ Fed Amazonas, Dept Math, BR-69077000 Manaus, Amazonas, Brazil

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2018年 / 152卷

关键词：

SnSe; DFT; Seebeck coefficient; Transport properties; POWER-FACTOR ENHANCEMENT; THERMAL-CONDUCTIVITY; TRANSPORT-PROPERTIES; TEMPERATURE TRANSFORMATION; PHASE-TRANSITION; PERFORMANCE; FIGURE; MERIT; IMPACT; STATE;

D O I：

10.1016/j.commatsci.2018.05.052

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effect of the hydrostatic pressures on the thermoelectrical properties of SnSe in the Pnma phase is studied using the density functional theory (DFT). The Seebeck coefficient, the electrical conductivity, the electronic and lattice thermal conductivities, the power factor and the figure of merit are investigated. For zero pressure the calculations are consistent with the experimental results reported in the literature. It is observed that an external pressure reduces the efficiency of SnSe in Pnma phase to convert thermal to electrical energy.

引用

页码：243 / 247

页数：5

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