https://doi.org/10.1140/epjp/s13360-023-04315-4
Regular Article
Half-metallicity, magnetic and optical attributes of mechanically stable half-Heusler VSnX (X = Pt, Pd) alloys for spintronics: a DFT study
1
Department of Physics, Riphah International University, Lahore, Pakistan
2
Department of Physics, University of Management and Technology, Lahore, Pakistan
3
Department of Physics and Astronomy, College of Sciences, King Saud University, P.O. Box 2455, 11451, Riyadh, Saudi Arabia
4
Department of Physics, University of Education, Lahore, Pakistan
5
Fachbereich Physik, Center for Hybrid Nanostructures (CHyN), Universität Hamburg, 20146, Hamburg, Germany
Received:
20
May
2023
Accepted:
24
July
2023
Published online:
10
August
2023
Recent developments in spintronics reveal the significance of half-Heusler alloys due to their high spin polarization. Using Wien2k package, half-Heusler VSnX (X = Pt, Pd) alloys have been investigated. The structures are predicted to have most stable in magnetic phases. Furthermore, formation energies and mechanical parameters justify the stability conditions. The bonding nature is determined through Pugh ratio, while the brittle behavior is achieved through Poisson ratio. A half metallic character with indirect band gap (Spin-dn) is achieved for VSnPt and VSnPd alloys. The spin polarization in both alloys is demonstrated through DOS and integer values of magnetic moments. The optical attributes are evaluated through several optical parameters showing absorption in visible and UV regions. The half-metallic response and the optical characteristics reveal that VSnX (X = Pt, Pd) exhibit interesting features for spintronic and optoelectronic technologies.
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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.
