Anisotropic thermoelectric properties of Sr5Sn2As6 compound under pressure by PBE-GGA and mBJ approaches
Year: 2017
Type: article
Abstract: We have investigated the effect of pressure on the structural, electronic and thermoelectric properties of Sr 5 Sn 2 As 6 zintl compound using the full potential linearized augmented plane wave method and the Perdew– Burke– Ernzerhof-generalized gradient approximation and modified Becke–Johnson exchange correlation potentials. The anisotropic crystal structure is observed in the z -direction. The results show that the lattice parameters decrease and the size of the band gap increases with increasing pressure. The thermoelectric efficiency along the z -direction is better than the x -and y -directions with a maximum ZT value of 0.993 in 7.1 GPa. P-type doping of Sr 5 Sn 2 As 6 has better ZT than n-type doping.
Source: Materials Research Express
Authors: A Abareshi, H A Rahnamaye Aliabad
Institution: Hakim Sabzevari University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2749012851