1304.0344 (L. Feng et al.)

Half-metallic ferrimagnetism in hypothetical half-Heusler compounds
CoCrX(X=Si, Ge, Sn)    [PDF]

L. Feng, E. K. Liu, W. X. Zhang, W. H. Wang, G. H. Wu

We investigate the electronic structure and magnetism of hypothetical half-Heusler compounds CoCrX(X=Si, Ge and Sn) using the ab initio density functional theory(DFT) calculations. For three compounds the ferromagnetic state is more favorable than the paramagnetic state. The calculations reveal that CoCrSi, CoCrGe and CoCrSn are half-metallic (HM) ferrimagnets with the same magnetic moment of 1.00 bohr magneton per formula unit, which agrees with the Slater-Pauling rule. The half-metallicity of CoCrX(X=Si, Ge and Sn) can be retained even when their lattice constants are changed near the equilibrium lattice constants.

View original: http://arxiv.org/abs/1304.0344