In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets
2014 ◽
Vol 69
(1)
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pp. 55-61
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Keyword(s):
Substitution effects on magnetism of shandite-type compounds have been studied by density functional theory. The decrease of the Fermi level in the novel half-metallic ferromagnet Sn2Co3S2 to higher maxima of the density of states was modeled for substitutions on the Co site by the 3d metals Fe, Mn and Cr due to a rigid band scheme. Spin-polarized energy hyper surfaces and densities of states are calculated for Sn2Co3S2, and experimentally not yet known Sn2Fe3S2, Sn2Mn3S2 and Sn2Cr3S2 with shandite-type structure. The stability of half-metallic ferromagnetic characteristics, Slater-Pauling behavior, and alternative metastable spin states are discussed.
2019 ◽
Vol 08
(02)
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pp. 1950008
Keyword(s):
2011 ◽
Vol 130-134
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pp. 1439-1443
The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study
2015 ◽
Vol 17
(34)
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pp. 22210-22216
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