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- W1907618118 abstract "The electronic and magnetic properties of C-doped α-Al2O3 have been investigated using density functional theory calculations. It is found that magnetism can be induced by doping C at Al and O sites, in which the spin densities are mainly located on the C dopant. Doping C at the Al-site leads to band gap narrowing and greatly modifies the upper valance band, while doping C at the O-site affects the band edges of α-Al2O3 slightly. Based on the dipole selection rules, we have also assigned the sub-band electron transitions in both α-Al2O3:CAl and α-Al2O3:CO." @default.
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- W1907618118 date "2015-12-01" @default.
- W1907618118 modified "2023-09-30" @default.
- W1907618118 title "Electronic and magnetic properties of C-doped α-Al2O3 by DFT calculations" @default.
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- W1907618118 doi "https://doi.org/10.1016/j.commatsci.2015.08.021" @default.
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