Open AccessThe Effect of Spin-Orbit Interaction On Structural and Electronic Properties of ScIr2
Author(s) -
H.Y. Uzunok
Publication year - 2020
Publication title -
sakarya university journal of science
Language(s) - English
Resource type - Journals
eISSN - 2147-835X
pISSN - 1301-4048
DOI - 10.16984/saufenbilder.680230
Subject(s) - orbit (dynamics) , spin–orbit interaction , condensed matter physics , density functional theory , spin (aerodynamics) , fermi surface , fermi gamma ray space telescope , physics , materials science , quantum mechanics , thermodynamics , engineering , aerospace engineering , superconductivity
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.
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