Work

First-principles study on the origin of large thermopower in hole-doped LaRhO3and CuRhO2

Year: 2009

Type: article

Abstract: Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO(3) and Mg-doped CuRhO(2). We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding Hamiltonian is obtained. The Seebeck coefficient is calculated within the Boltzmann's equation approach using this effective Hamiltonian. For LaRhO(3), we find that the Seebeck coefficient remains nearly constant within a large hole concentration range, which is consistent with the experimental observation. For CuRhO(2), the overall temperature dependence of the calculated Seebeck coefficient is in excellent agreement with the experiment. The origin of the large thermopower is discussed.

Source: Journal of Physics Condensed Matter

DOI: 10.1088/0953-8984/21/6/064223

Authors: Hidetomo Usui, Ryotaro Arita, Kazuhiko Kuroki

Institutions: University of Electro-Communications, The University of Tokyo

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: Ministry of Education, Culture, Sports, Science and Technology, University of Tokyo, Japan Society for the Promotion of Science

OpenAlex ID: W1996689169

FWCI: 1.415

Cites: 15

Cited by: 25

Related to: 10