Work

Theoretical investigation of the thermoelectric transport properties of BaSi2

Year: 2011

Type: article

Abstract: The full-potential linear augmented plane wave method based on density functional theory is employed to investigate the electronic structure of BaSi 2 . With the constant relaxation time and rigid band approximation, the electrical conductivity, Seebeck coefficient and figure of merit are calculated by using Boltzmann transport theory, further evaluated as a function of carrier concentration. We find that the Seebeck coefficient is more anisotropic than electrical conductivity. The figure of merit of BaSi 2 is predicted to be quite high at room temperature, implying that optimal doping may be an effective way to improve thermoelectric properties.

Source: Chinese Physics B

DOI: 10.1088/1674-1056/20/4/046103

Authors: Hua Peng, Chun-Lei Wang, Ji-Chao Li, Rui-Zhi Zhang, Hong-Chao Wang, Yi Sun

Institutions: Shandong University, State Key Laboratory of Crystal Materials, Changji University

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: Shandong University, Independent Innovation Foundation of Shandong University, National Key Research and Development Program of China

Award: G8249198637