First-principle study on the magnetic properties of six potential half-metallic ferromagnets: C-doped alkaline-earth chalcogenides

[摘要]：Six half-metallic ferromagnets with NaCl structure, X4CY3 (X=Mg, Ca, and Sr and Y=O and S) are predicted by the first principle calculations based on the density functional theory. The supercell magnetic moments of these ferromagnets are all integer 2.0 m

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