and ScIr 2," Powder Metallurgy and Metal Ceramics, vol. 39, pp. 55-58, 2000." />
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.
intermetallics density functional theory electronic structure spin-orbit interaction
Birincil Dil | İngilizce |
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Bölüm | Araştırma Makalesi |
Yazarlar | |
Yayımlanma Tarihi | 1 Nisan 2020 |
Gönderilme Tarihi | 26 Ocak 2020 |
Kabul Tarihi | 18 Şubat 2020 |
Yayımlandığı Sayı | Yıl 2020 |
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