Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8160527 | Physica B: Condensed Matter | 2018 | 24 Pages |
Abstract
SnSe is a promising thermoelectric material with a record high dimensionless figure of merit ZT at high temperature â¼923â¯K. However, the ZT values for low-Temperature Pnma phase SnSe are just 0.1-0.9. Here, we use First-principle combine with Boltzmann transport theory methods to study the effect of tensile and compressible strain on the thermoelectric transport properties. The power factor of SnSe with â4% strain have a large boost along b and c directions of 7.7 and 3.9â¯Î¼Wâ¯cmâ1â¯Kâ2, respectively, which are 2.5 and 2 times as large as those pristine SnSe. The charge density distributions reveal that the overlap of wave function has significant change due to the changed bond lengths and bond angles under different strain, which lead to the change of band gap and band dispersion. Our work provides a new effective strategy to enhance the thermoelectric properties of materials.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Yu Tang, Feng Cheng, Decong Li, Shuping Deng, Zhong Chen, Luqi Sun, Wenting Liu, Lanxian Shen, Shukang Deng,