Investigation of Band Structure of ZrNiSn1-xGax Semiconductor Solid Solution

Authors

  • L.P. Romaka
  • Yu.V. Stadnyk Ivan Franko National University of Lviv
  • V.V. Romaka National University “Lvivska Politechnika”
  • V.Ya. Krayovsky National University “Lvivska Politechnika”
  • P.-F. Rogl Інститут фізичної хімії Віденського університету
  • A.M. Нoryn Ivan Franko National University of Lviv

DOI:

https://doi.org/10.15330/pcss.18.2.187-193

Keywords:

crystal and electronic structures, conductivity, thermopower coefficient

Abstract

The mechanism of simultaneous generation of donor-acceptor pairs in ZrNiSn1-xGax semiconductor solid solution is established. The modeled distribution of atoms in the crystal lattice of ZrNiSn1-xGax showed that the speed of movement of Fermi level εF, obtained from the band structure calculations is in agreement with experimental extracted from lnρ(1/T) dependencies. It is shown that with substitution of Sn (5s25p2) with Ga (4s24p1) atoms in 4b crystallographic site both acceptor and donor (vacancies in 4b site) defects are generated.

References

[1] L.P. Romaka, V.A. Romaka, Yu.V. Stadnyk, P.-F. Rogl, V.Ya. Krayovskyy, A.M. Нoryn, Z.M. Rykavets, PCSS 18(1), 41 (2017).
[2] V.A. Romaka, P. Rogl, L.P. Romaka, Yu.V. Stadnyk, V.Ya. Krayovskyy, D. Kaczorowski, A.M. Horyn, Journal of Thermoelectricity (3), 24 (2016).
[3] V.V. Romaka, L.P. Romaka, V.Ya. Krayovskyy, Yu.V. Stadnyk, Stannides of rare earth and transition metals Станіди рідкісноземельних та перехідних металів (Lvivska Politekhnika, Lviv, 2015).
[4] V.V. Romaka, P. Rogl, L. Romaka, Yu. Stadnyk, A. Grytsiv, O. Lakh, V. Krayovsky, Intermetallics 35, 45 (2013).
[5] M. Schruter, H. Ebert, H. Akai, P. Entel, E. Hoffmann, G.G. Reddy, Phys. Rev. B 52, 188 (1995).
[6] V.L. Moruzzi, J.F. Janak, A.R. Williams, Calculated electronic properties of metals (Pergamon Press, NY, 1978).
[7] N.F. Mott, E.A. Davis, Electron processes in non-crystalline materials (Clarendon Press, Oxford, 1979).
[8] V.A. Romaka, V.V. Romaka and Yu.V. Stadnyk, Intermetallic Semiconductors: Properties and Applications (Lvivsk. Politekhnika, Lviv, 2011).

Published

2017-06-15

How to Cite

Romaka, L., Stadnyk, Y., Romaka, V., Krayovsky, V., Rogl, P.-F., & Нoryn A. (2017). Investigation of Band Structure of ZrNiSn1-xGax Semiconductor Solid Solution. Physics and Chemistry of Solid State, 18(2), 187–193. https://doi.org/10.15330/pcss.18.2.187-193

Issue

Section

Scientific articles

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