Half-metallic properties in the Fe2TiP full-Heusler compound
Intermetallics, cilt.37, ss.88-91, 2013 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 37
- Basım Tarihi: 2013
- Doi Numarası: 10.1016/j.intermet.2013.02.005
- Dergi Adı: Intermetallics
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.88-91
- Anahtar Kelimeler: A. Magnetic intermetallics, E. Ab-initio calculations, G. Magnetic applications
- Ankara Hacı Bayram Veli Üniversitesi Adresli: Hayır
Özet
Electronic structure calculations based on density functional theory for the Fe2TiP Heusler compound have been performed using the self-consistent full-potential linearized augmented plane wave method. The AlCu2Mn-type structure is found to be preferable energy wise than the CuHg2Ti-type structure for the full-Heusler Fe2TiP and exhibits half-metallic ferrimagnetism. The total spin moment is 1 μB at the equilibrium lattice constant a0 = 5.65. The spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.38 eV. © 2013 Elsevier Ltd. All rights reserved.