Zintl Phase BaAgSb: Low Thermal Conductivity and High Performance Thermoelectric Material in Ab Initio Calculation

被引：0

作者：

王绍菲 ^{[1
,2
,3
]}

张志刚 ^{[4
,5
]}

王保田 ^{[1
,2
,6
]}

张俊荣 ^{[1
,2
,3
]}

王芳卫 ^{[2
,3
,4
,5
]}

机构：

[1] Institute of High Energy Physics, Chinese Academy of Sciences

[2] Spallation Neutron Source Science Center

[3] School of Nuclear Sciences and Technology, University of Chinese Academy of Sciences

[4] Beijing National Laboratory for Condensed Matter Physics, Institute of Physics,Chinese Academy of Sciences

[5] Songshan Lake Material Laboratory

[6] Collaborative Innovation Center of Extreme Optics, Shanxi University

来源：

Chinese Physics Letters | 2021年 / 38卷 / 04期

基金：

国家重点研发计划; 中国国家自然科学基金;

关键词：

D O I：

暂无

中图分类号：

TB34 [功能材料];

学科分类号：

080501 ;

摘要：

Thermoelectric materials are critical parts in thermal electric devices.Here,Zintl phase BaAgSb in space group of P63/mmc is reported as a promising thermoelectric material in density function theory.The anisotropic lattice thermal conductivity and phonon transport properties are investigated in theory.The strong phonon-phonon scattering in BaAgSb exhibits ultra-low lattice thermal conductivity of 0.59 W·m-1·K-1along c-axis at 800 K,and high thermoelectric performance ZT=0.94 at 400 K.The mix of covalent and ionic bond supports high carrier mobility and low thermal conductivity.The unusual features make BaAgSb a potential thermoelectric material.

引用

页码：92 / 95

页数：4

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