Program

P.70 -- Poster, NCTP-42

Date: Wednesday, 2 August 2017

Time: 08h30 - 10h00

Effect of strain on electronic structure and thermoelectric property of a Bi2Te3/Sb2Te3 compound

Tran Van Quang*, Nguyen Thi Hoa, Doan Thi Thuy Phuong

Department of Physics, University of Transport and Communications, Hanoi, Vietnam

Compounds of bismuth telluride and antimony telluride have greatly attracted the attention of researchers in the years due to the potential applications in the fields of thermoelectrics and spintronics. In this work, we present first-principles calculation of a compound of bismuth telluride - antimony telluride using Quantum Espresso package within the framework of density functional theory. The results of electronic structure calculation show degenerate valleys at the band edges suggesting an enhancement of the power factor by band engineering. To substantiate, we use the solution of semi-classical Boltzmann’s equation in a constant relaxation-time approximation to compute the transport coefficients, i.e. the Seebeck coefficient, the electrical conductivity, and the power factor. We demonstrate that the band topology near Fermi energy is tunable under the effects of strain which impacts efficiently on the transport property of the compound. The results suggest a promising technique to improve thermoelectric performance of the compound.

Presenter: Tran Van Quang