Half-metallic ferrimagnetism in the full-Heusler compound Co 2ScSb
Intermetallics, cilt.19, sa.11, ss.1642-1645, 2011 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 19 Sayı: 11
- Basım Tarihi: 2011
- Doi Numarası: 10.1016/j.intermet.2011.07.004
- Dergi Adı: Intermetallics
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.1642-1645
- Anahtar Kelimeler: A. Magnetic intermetallics, E. ab-initio calculations, G. Magnetic applications
- Ankara Hacı Bayram Veli Üniversitesi Adresli: Hayır
Özet
The AlCu2Mn-type structure is found to be preferable energy wise than the CuHg2Ti-type structure for the full-Heusler Co 2ScSb and exhibits half-metallic ferrimagnetism based on first-principles density-functional calculations. Calculations show that the total spin moment is 2 μB at the equilibrium lattice constant a0 = 6.21 , which agrees with the Slater-Pauling rule. The spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.38 eV, and the spin-flip gap is of 0.24 eV. Half-metallicity is stable for a wide range of lattice constants. © 2011 Elsevier Ltd. All rights reserved.