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Electronic structure and thermoelectric properties of Bi-2(Te1-xSex)(3) compound

L. Zhao ; P. F. Lu ; Z. Y. Yu ; T. Gao ; C. J. Wu ; L. Ding ; Shumin Wang (Institutionen för mikroteknologi och nanovetenskap, Fotonik)
Solid State Communications (0038-1098). Vol. 155 (2013), Feb., p. 34-39.
[Artikel, refereegranskad vetenskaplig]

A first-principles study has been performed to evaluate the electronic structure and thermoelectric properties of Bi-2(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 Bi-2(Te1-xSex)(3) system, and it agrees well with previous experimental data.

Nyckelord: Density functional theory, Electronic structure, Thermoelectric, properties, Bi-2(Te1-xSex)(3) compound, alloys, merit, devices, figure, performance, telluride

Denna post skapades 2013-03-28.
CPL Pubid: 175159


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Institutionen för mikroteknologi och nanovetenskap, Fotonik



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