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19 April 2024 |
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Half-metallic ferrimagnetism in hypothetical half-Heusler compounds CoCrX(X=Si, Ge, Sn) | | L. Feng
; E. K. Liu
; W. X. Zhang
; W. H. Wang
; G. H. Wu
; | | Date: |
1 Apr 2013 | | Abstract: | 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. | | Source: | arXiv, 1304.0344 | | Services: | Forum | Review | PDF | Favorites | |
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