Electronic structure and thermoelectric properties of Bi-2(Te1-xSex)(3) compound
Journal article, 2013
A first-principles study has been performed to evaluate the electronic structure and thermoelectric properties of Bi-2(Te1-xSex)(3) compound. The transport coefficients are then calculated within the semiclassical Boltzmann theory, and further evaluated as a function of chemical potential assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical calculations show that the ZT value is 1.43 for Bi-2(Te1-xSex)(3) system, and it agrees well with previous experimental data.
Bi-2(Te1-xSex)(3) compound
telluride
merit
figure
Density functional theory
Thermoelectric
properties
alloys
devices
Electronic structure
performance
Author
L. Zhao
Beijing University of Posts and Telecommunications (BUPT)
P. F. Lu
Beijing University of Posts and Telecommunications (BUPT)
Z. Y. Yu
Beijing University of Posts and Telecommunications (BUPT)
T. Gao
Sichuan University
Chengjie Wu
Beijing University of Posts and Telecommunications (BUPT)
L. Ding
Beijing University of Posts and Telecommunications (BUPT)
Shu Min Wang
Chalmers, Microtechnology and Nanoscience (MC2), Photonics
Solid State Communications
0038-1098 (ISSN)
Vol. 155 Feb. 34-39Subject Categories
Telecommunications
DOI
10.1016/j.ssc.2012.10.037