Thermoelectric properties of SnSe compound

被引：51

作者：

Guan, Xinhong ^{[1
]}

Lu, Pengfei ^{[1
]}

Wu, Liyuan ^{[1
]}

Han, Lihong ^{[1
]}

Liu, Gang ^{[2
]}

Song, Yuxin ^{[3
]}

Wang, Shumin ^{[3
,4
]}

机构：

[1] Beijing Univ Posts & Telecommun, Minist Educ, State Key Lab Informat Photon & Optic Commun, Beijing 100876, Peoples R China

[2] Beijing Univ Posts & Telecommun, Sch Elect Engn, Beijing 100876, Peoples R China

[3] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China

[4] Chalmers, Dept Microtechnol & Nanosci, Photon Lab, S-41296 Gothenburg, Sweden

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2015年 / 643卷

基金：

中国国家自然科学基金;

关键词：

SnSe; Electronic structure; Thermoelectric properties; Figure of merit; ELECTRONIC-STRUCTURE; THIN-FILMS; PERFORMANCE; NANOSTRUCTURES; DEPOSITION; ALLOYS;

D O I：

10.1016/j.jallcom.2015.04.073

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. Our theoretical result agrees well with previous experimental data. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：116 / 120

页数：5

共 33 条

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