Year: 2016
Type: article
Abstract: Tin telluride is a thermoelectric material that enables the conversion of thermal energy to electricity. SnTe demonstrates a great potential for large-scale applications due to its lead-free nature and the similar crystal structure to PbTe. In this paper, the effect of dopants (i.e., Mg, Ca, Sr, Ba, Eu, Yb, Zn, Cd, Hg, and In) on the band structures and electrical transport properties of SnTe was investigated based on the first-principles density functional theory including spin–orbit coupling. The results show that Zn and Cd have a dominant effect of band convergence, leading to power factor enhancement. Indium induces obvious resonant states, while Hg-doped SnTe exhibits a different behavior with defect states locating slightly above the Fermi level.
Source: Journal of Materiomics
Authors: Xiao Dong, Hulei Yu, Wen Li, Yanzhong Pei, Yue Chen
Institutions: University of Hong Kong, Tongji University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,750
OpenAlex ID: W2378119697