Research of the thermoelectric material Lu1-xVxNiSb: modeling of properties

Authors

  • V.A. Romaka 1National University “Lvivska Politechnika”, 12, S. Bandera Str., Lviv, 79013, Ukraine
  • Yu.V. Stadnyk 2Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine
  • L.P. Romaka 2Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine
  • Yu.O. Plevachuk 2Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine
  • V.V. Romaka 3Leibniz Institute for Solid State and Materials Research, IFW-Dresden, Helmholtzstr. 20, 01069 Dresden, Germany
  • A.M. Horyn Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine
  • V.Z. Pashkevych National University “Lvivska Politechnika”, 12, S. Bandera Str., Lviv, 79013, Ukraine
  • A.V. Zelinskiy Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine

Keywords:

electronic structure, figure of merit of thermoelectric material, resistivity, thermopower coefficient

Abstract

The result of modeling the crystal and electronic structures, thermodynamic and kinetic properties of Lu1-xVxNiSb is establishing the nature of the generated energy states. It is shown that the semiconductor solid solution Lu1-xVxNiSb is a promising thermoelectric material, and at a temperature of Т≈620 K and a concentration of Lu0.99V0.01NiSb, the thermoelectric factor Z values reach the maximum values of ZT = 0.62. It was established that the impurity atoms of V (3d34s2), introduced into the structure of the LuNiSb compound, simultaneously occupy the crystallographic positions 4a of Lu atoms (5d16s2) and 4c of Ni atoms (3d84s2) in different ratios, generating in the band gap eg impurity donor εDV and acceptor eANi energy states. The ratio of concentrations of donors and acceptors determines the location of the Fermi level εF and the mechanisms of electrical conductivity.

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How to Cite

Romaka, V., Stadnyk, Y. ., Romaka, L., Plevachuk, Y. ., Romaka, V., Horyn, A., … Zelinskiy, A. (2024). Research of the thermoelectric material Lu1-xVxNiSb: modeling of properties. Journal of Thermoelectricity, (1), 28–43. Retrieved from http://jte.ite.cv.ua/index.php/jt/article/view/17

Issue

No. 1 (2022): Journal of Thermoelectricity

Section

Materials research

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