Anisotropic thermoelectric properties of Sr5Sn2As6 compound under pressure by PBE-GGA and mBJ approaches

被引：6

作者：

Abareshi, A. ^{[1
]}

Aliabad, H. A. Rahnamaye ^{[1
]}

机构：

[1] Hakim Sabzevari Univ, Dept Phys, Sabzevar, Iran

来源：

MATERIALS RESEARCH EXPRESS | 2017年 / 4卷 / 09期

关键词：

structure; thermoelectric; pressure; Sr5Sn2As6; ZINTL COMPOUNDS; ELECTRONIC-STRUCTURE; PERFORMANCE; ENHANCEMENT; EFFICIENCY; POWER; PURE;

D O I：

10.1088/2053-1591/aa877c

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated the effect of pressure on the structural, electronic and thermoelectric properties of Sr5Sn2As6 zintl compound using the full potential linearized augmented plane wave method and the Perdew-Burke-Ernzerhof-generalized gradient approximation and modified Becke-Johnson exchange correlation potentials. The anisotropic crystal structure is observed in the z-direction. The results show that the lattice parameters decrease and the size of the band gap increases with increasing pressure. The thermoelectric efficiency along the z-direction is better than the x-and y-directions with a maximum ZT value of 0.993 in 7.1 GPa. P-type doping of Sr5Sn2As6 has better ZT than n-type doping.

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页数：10

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