The Effect of Spin-Orbit Interaction On Structural and Electronic Properties of ScIr2

Year 2020, Volume: 24 Issue: 2, 406 - 411, 01.04.2020

Huseyin Yasin Uzunok

https://doi.org/10.16984/saufenbilder.680230

Cited By: 1

Abstract

The structural and electronic properties of face-centred cubic ScIr2 compound is investigated by using a generalised gradient approximation scheme of density functional theory with and without spin-orbit interaction. The structural results show that the spin-orbit interaction has a negligible effect for the crystallizing of ScIr2 compound. The Fermi surface calculations suggest considerable nesting along Γ-X direction that could affect the vibrational properties.

Keywords

intermetallics, density functional theory, electronic structure, spin-orbit interaction

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