Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

Autor: Do Duc Cuong, S. H. Rhim, Joo-Hyong Lee, Soon Cheol Hong
Jazyk: angličtina
Rok vydání: 2015
Předmět:
Zdroj: AIP Advances, Vol 5, Iss 11, Pp 117147-117147-6 (2015)
Druh dokumentu: article
ISSN: 2158-3226
DOI: 10.1063/1.4936636
Popis: Strain effect on thermoelectricity of orthorhombic SnSe is studied using density function theory. The Seebeck coefficients are obtained by solving Boltzmann Transport equation (BTE) with interpolated band energies. As expected from the crystal structure, calculated Seebeck coefficients are highly anisotropic, and agree well with experiment. Changes in the Seebeck coefficients are presented, when strain is applied along b and c direction with strength from -3% to +3%, where influence by band gaps and band dispersions are significant. Moreover, for compressive strains, the sign change of Seebeck coefficients at particular direction suggests that the bipolar transport is possible for SnSe.
Databáze: Directory of Open Access Journals