سنة النشر

2018

العنوان

Investigations of the Electronic and Magnetic Structures of Zr2NiZ (Z = Ga, In, B) Heusler Compounds: First Principles Study

الخلاصة

We analyzed the electronic and magnetic properties of new Heusler alloys Zr2NiZ (Z = Ga, In, B) with Hg2CuTi type structures based on first principles calculations. All compounds exhibit a stable half-metallic properties with band gaps in the spin-minority state 0.48 eV, 0.54 eV, and 0.62 eV, for Zr2NiZ (Z = Ga, In, B), respectively, with spin polarization equal to 100%. The calculated magnetic moment of these compounds was found to equal 3 μB per formula unit values, which all follow the Slater–Pauling rule (SP) of Mt = Zt − 18. The Zr2NiZ (Z = Ga, In, B) compounds showed half-metallic properties with a total spin polarization equal to 100% over a wide range of values of the lattice constant, and this makes these inverse Heusler alloys of maximum benefit in a wide implementations of spintronic systems. © 2018, The Minerals, Metals & Materials Society.