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- W2022089237 abstract "The electronic structure and magnetic properties of calcium chalcogenides with the incorporation of nonmagnetic sp impurities (B, C and N) has been investigated based on first principles calculations. The calculations demonstrate that the substitution of C‐ and N‐ for chalcogen atom in calcium chalcogenides host can induce magnetism while B cannot induce spin polarization in CaS and CaSe except in CaTe. Furthermore C‐ and N‐ doped calcium chalcogenides is found to be half‐metallic with total magnetic moment of 2.00 μB and 1.00 μB per f.u. Density of states studies show that each C and N has spin‐polarized 2p states in the bandgap and hybridization between the p states of dopants and partial d states of Ca. This leads to half‐metallic ferromagnetism in these compounds. Our studies indicate that both C and N doping can enhance stable ferromagnetic state in host matrices. The electronic band structure calculations show, that hole mediated p‐p interaction mechanism is responsible for the formation of ferromagnetism." @default.
- W2022089237 created "2016-06-24" @default.
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- W2022089237 date "2011-01-01" @default.
- W2022089237 modified "2023-09-23" @default.
- W2022089237 title "Half-Metallic Ferromagnetism In Calcium Chalcogenides In The Presence Of Nonmagnetic Impurities (B, C and N)" @default.
- W2022089237 doi "https://doi.org/10.1063/1.3601793" @default.
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