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Published in: Journal of Materials Science 14/2013

01-07-2013

A theoretical investigation on thermoelectric performance of ternary (Bi1−x Sb x )2Te3 compound

Authors: Pengfei Lu, Chengjie Wu, Yiluan Li, Zhongyuan Yu, Huawei Cao, Tao Gao, Shumin Wang

Published in: Journal of Materials Science | Issue 14/2013

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Abstract

The electronic structure and thermoelectric properties of (Bi1−x Sb x )2Te3 compound are investigated by using full-potential linearized augmented plane-wave method and semiclassical Boltzmann theory. The density of states and band structure are studied in detail. The transport coefficients are then calculated with the assumption of the constant relaxation time approximation. We investigated the thermoelectric properties at full range of Sb compositions from x = 0 to x = 1. By using the calculated thermoelectric properties and an averaged thermal conductivity, the figure of merit ZT is obtained. The theoretical investigations show a good agreement with the present experimental data.

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Metadata
Title
A theoretical investigation on thermoelectric performance of ternary (Bi1−x Sb x )2Te3 compound
Authors
Pengfei Lu
Chengjie Wu
Yiluan Li
Zhongyuan Yu
Huawei Cao
Tao Gao
Shumin Wang
Publication date
01-07-2013
Publisher
Springer US
Published in
Journal of Materials Science / Issue 14/2013
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-013-7286-9

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