Work

Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material

Year: 2021

Type: article

Abstract: Crystal and electronic structure, transport and energy state characteristics of the Zr1−xVx NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determines the electric conductivity of the material, is established. It is shown that energetically expedient is a simultaneous occupation of the 4c position of Ni (3d84s2) atoms by V (3d34s2) atoms, which generates structural defects of the acceptor nature and the impurity acceptor band Ꜫ1A, as well as the 4a position of Zr (4d25s2) atoms, generating structural defects of the donor nature and the impurity donor band Ꜫ2D.

Source: Ukrainian Journal of Physics

DOI: 10.15407/ujpe66.4.333

Authors: V.V. Romaka, Yu.V. Stadnyk, P.F. Rogl, L.P. Romaka, V.Ya. Krayovskyy, A.Ya. Horpenyuk, A.M. Horyn

Institutions: Leibniz Institute for Solid State and Materials Research, Lviv Polytechnic National University, Lviv University, University of Vienna

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

OpenAlex ID: W3162784397

FWCI: 0.071

Cites: 10

Cited by: 1

Related to: 10