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Half-metallic properties of the CuHg2Ti-type Mn2ZnSi full-Heusler compound
Selçuk Kervan,Nazmiye Kervan 한국물리학회 2013 Current Applied Physics Vol.13 No.1
The half-metallic properties of novel CuHg2Ti-type Mn2ZnSi full-Heusler compound were examined by density functional theory (DFT) calculations. The electronic band structures and density of states of the Mn2ZnSi 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 Mn2ZnSi Heusler compound has a magnetic moment of 2 mB at the equilibrium lattice constant a ¼ 5.80 Å. The Mn2ZnSi 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.