https://doi.org/10.1140/epjp/s13360-022-03645-z
Regular Article
Electronic, magnetic, and pressure-induced elastic investigaments of MnY2O4 oxide spinel
1
Department of Physics, Faculty of Science, Gazi University, 06560, Teknikokullar Ankara, Turkey
2
Health Services Vocational School, Ankara Yildirim Beyazıt University, 06760, Ankara, Turkey
a
evrengorkemozdemir@gazi.edu.tr
Received:
30
October
2022
Accepted:
30
December
2022
Published online:
13
January
2023
The electronic, magnetic, and pressure-induced elastic properties of MnY2O4 oxide spinel were calculated by both the GGA and the GGA + mBJ methods. First, the ferromagnetic phase was obtained as energetically most stable, and the equilibrium lattice parameter was obtained as 9.34 Å. Then the up-spin band gaps were calculated as 0.539 eV and 1.667 eV, and down-spin band gaps were calculated as 3.422 eV and 4.813 eV for the GGA and the GGA + mBJ methods, respectively. In both methods, MnY2O4 was obtained as a semiconductor. However, the method differences had a direct effect on the band gaps. The down-spin electrons had large band gaps. The magnetic moment of MnY2O4 was obtained as 10.0 µB/cell. The biggest contribution to the total magnetic moment came from Mn atom as 4.106 µB. All elastic results showed that MnY2O4 oxide spinel was a brittle material and it was elastically stable. The Debye temperature was obtained as 485 K at 0 GPa pressure.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjp/s13360-022-03645-z.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
