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

• 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.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Elektroteknik och elektronik -- Telekommunikation (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Electrical Engineering, Electronic Engineering, Information Engineering -- Telecommunications (hsv//eng)

Keyword

Bi-2(Te1-xSex)(3) compound

telluride

merit

figure

Density functional theory

Thermoelectric

properties

alloys

devices

Electronic structure

performance

Publication and Content Type

art (subject category)

ref (subject category)