Electronic structures and magnetism in the Li2AgSb-type Heusler alloys, Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb): A first-principles study
作者： X.T. Wang , Y.T. Cui , X.F. Liu , G.D. Liu
DOI: 10.1016/J.JMMM.2015.06.035
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摘要: Abstract The electronic and magnetic properties of Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb) alloys with a Li2AgSb-type structure were investigated systematically using the first-principle calculations. Pb) are predicted to be half-metallic ferromagnets at their equilibrium lattice constants. Zr2Co-based have Mt (the total moment per unit cell) Zt valence concentration) values following Slater–Pauling rule Mt=Zt−18. effects constants on discussed in detail. Moreover, all this paper negative formation energy, which implies that they thermodynamically stable.
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