Half-metallic properties of the CuHg 2Ti-type Mn 2ZnSi full-Heusler compound
Current Applied Physics, cilt.13, sa.1, ss.80-83, 2013 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 13 Sayı: 1
- Basım Tarihi: 2013
- Doi Numarası: 10.1016/j.cap.2012.06.018
- Dergi Adı: Current Applied Physics
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.80-83
- Anahtar Kelimeler: Density functional theory, Half-metal, Heusler compounds, Spintronics
- Ankara Hacı Bayram Veli Üniversitesi Adresli: Hayır
Özet
The half-metallic properties of novel CuHg 2Ti-type Mn 2ZnSi full-Heusler compound were examined by density functional theory (DFT) calculations. The electronic band structures and density of states of the Mn 2ZnSi compound show that spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.48 eV, and the spin-flip gap is of 0.28 eV. The Mn 2ZnSi Heusler compound has a magnetic moment of 2 μ B at the equilibrium lattice constant a = 5.80 Å. The Mn 2ZnSi full-Heusler compound is ferrimagnetic and maintains the half-metallic character having 100% polarization for lattice constants ranging between 5.62 and 6.91 Å. © 2012 Elsevier B.V. All rights reserved.