Thermoelectric performance of half-Heusler compounds TiNiSn and TiCoSb

被引：89

作者：

Wang, L. L. ^{[1
,2
]}

Miao, L. ^{[1
,2
]}

Wang, Z. Y. ^{[1
,2
]}

Wei, W. ^{[1
,2
]}

Xiong, R. ^{[1
,2
]}

Liu, H. J. ^{[1
,2
]}

Shi, J. ^{[1
,2
,3
]}

Tang, X. F. ^{[4
]}

机构：

[1] Wuhan Univ, Dept Phys, Wuhan 430072, Peoples R China

[2] Wuhan Univ, Key Lab Acoust & Photon Mat & Devices, Minist Educ, Wuhan 430072, Peoples R China

[3] Acad Sinica, Int Ctr Mat Phys, Shenyang 110015, Peoples R China

[4] Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2009年 / 105卷 / 01期

基金：

中国国家自然科学基金;

关键词：

LATTICE THERMAL-CONDUCTIVITY; ELECTRONIC-STRUCTURE; PARTIAL SUBSTITUTION; TRANSPORT-PROPERTIES; NI; TEMPERATURE; ZRNISN; PHASES; CO; 1ST-PRINCIPLES;

D O I：

10.1063/1.3056384

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structures of half-Heusler compounds TiNiSn and TiCoSb are investigated by using the full-potential linearized augmented plane-wave method. When the spin-orbital coupling is included in the calculations, there is only a slight change in the energy band structures. The transport coefficients (Seebeck coefficient, electrical conductivity, and power factor) are then calculated within the Boltzmann theory, and further evaluated as a function of chemical potential assuming a rigid band picture. Our calculations offer a valuable insight on how to improve the thermoelectric performance of these two compounds. (C) 2009 American Institute of Physics.

引用

页数：5

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