Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material

Authors

  • V.V. Romaka Leibniz Institute for Solid State and Materials Research Dresden, Lviv Polytechnic National University
  • Yu.V. Stadnyk Ivan Franko National University of Lviv
  • P.F. Rogl University of Vienna
  • L.P. Romaka Ivan Franko National University of Lviv
  • V.Ya. Krayovskyy Lviv Polytechnic National University
  • A.Ya. Horpenyuk Lviv Polytechnic National University
  • A.M. Horyn Ivan Franko National University of Lviv

DOI:

https://doi.org/10.15407/ujpe66.4.333

Keywords:

semiconductors, crystal lattices, defects

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.

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Published

2021-05-13

How to Cite

Romaka, V., Stadnyk, Y., Rogl, P., Romaka, L., Krayovskyy, V., Horpenyuk, A., & Horyn, A. (2021). Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material. Ukrainian Journal of Physics, 66(4), 333. https://doi.org/10.15407/ujpe66.4.333

Issue

Section

Semiconductors and dielectrics