Title of article :
Electronic structure and thermoelectric properties of Bi2(Te1−xSex)3 compound
Author/Authors :
Zhao، نويسنده , , L. and Lu، نويسنده , , P.F. and Yu، نويسنده , , Z.Y. and Gao، نويسنده , , T. and Wu، نويسنده , , C.J. and Ding، نويسنده , , L. and Wang، نويسنده , , S.M.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Abstract :
A first-principles study has been performed to evaluate the electronic structure and thermoelectric properties of Bi2(Te1-xSex)3 compound. The transport coefficients are then calculated within the semiclassical Boltzmann theory, and further evaluated as a function of chemical potential assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical calculations show that the ZT value is 1.43 for Bi2(Te1−xSex)3 system, and it agrees well with previous experimental data.
Keywords :
E. Density functional theory , C. Electronic structure , A. Bi2(Te1?xSex)3 compound , D. Thermoelectric properties
Journal title :
Solid State Communications
Journal title :
Solid State Communications
