| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1612376 | Journal of Alloys and Compounds | 2014 | 6 Pages |
Abstract
•Sb and Se spin–orbit coupling play a key role in the band structure.•Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients.•n-Type doping will be preferred for quaternary (Bi,Sb)2(Te,Se)3 compound.
The quaternary (Bi,Sb)2(Te,Se)3 compounds are investigated using first-principles study and Boltzmann transport theory. 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. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Pengfei Lu, Yiluan Li, Chengjie Wu, Zhongyuan Yu, Huawei Cao, Xianlong Zhang, Ningning Cai, Xuxia Zhong, Shumin Wang,