- Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi
- Vol: 24 Issue: 2
- The Effect of Spin-Orbit Interaction On Structural and Electronic Properties of ScIr2
The Effect of Spin-Orbit Interaction On Structural and Electronic Properties of ScIr2
Authors : Huseyin Yasin UZUNOK
Pages : 406-411
Doi:10.16984/saufenbilder.680230
View : 10 | Download : 4
Publication Date : 2020-04-01
Article Type : Other
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