Physics – Condensed Matter – Materials Science
Scientific paper
2012-01-05
Physics
Condensed Matter
Materials Science
Scientific paper
Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total magnetic moments of these ferromagnets are all integer 2.00{\mu}B per supercell, which are one of important characters of half-metallic ferromagnets. Our calculations indicate that X0.75Y0.25C have wide spin gap and potentially have high Curie temperature. Alkaline-earth doping results in the spin-polarization and half-metallicity of these compounds. It is confirmed that the p-d exchange coupling is responsible for the ferromagnetism of X0.75Y0.25C except Sn0.75Ca0.25C.
Chu Shi-Bin
Deng Hong
Deng Jian-Bo
Hu Xian-Ru
Wei Xiao-Ping
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