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.
Thermoelectric
merit
alloys
Electronic structure
Bi-2(Te1-xSex)(3) compound
properties
devices
figure
performance
telluride
Density functional theory
Author
L. Zhao
Beijing University of Posts and Telecommunications
P. F. Lu
Beijing University of Posts and Telecommunications
Z. Y. Yu
Beijing University of Posts and Telecommunications
T. Gao
Sichuan University
Chengjie Wu
Beijing University of Posts and Telecommunications
L. Ding
Beijing University of Posts and Telecommunications
Shu Min Wang
Chalmers, Microtechnology and Nanoscience (MC2), Photonics
Solid State Communications
0038-1098 (ISSN)
Vol. 155 Feb. 34-39Subject Categories (SSIF 2011)
Telecommunications
DOI
10.1016/j.ssc.2012.10.037