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• W4312143527 endingPage "109651" @default.
• W4312143527 startingPage "109651" @default.
• W4312143527 abstract "Based on first principles calculation, the structural models and electronic properties of N-S co-doped diamond are investigated to achieve the possible donors in diamond. It is predicted that the ionization energy of N-S co-doping in diamond is 0.85 eV, which is shallower than that of the S doped diamond. The spatial localized charge distribution and bonding feature around the N and S atoms denote the strong repulsion between the lone pair electron of N and S atoms, which is helpful for understanding the band structures of N-S co-doped diamond. Our findings would provide a possible route to experimentally achieve the n-type diamond." @default.
• W4312143527 created "2023-01-04" @default.
• W4312143527 creator A5053597658 @default.
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• W4312143527 date "2023-02-01" @default.
• W4312143527 modified "2023-10-04" @default.
• W4312143527 title "First-principles study of N and S co-doping in diamond" @default.
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• W4312143527 doi "https://doi.org/10.1016/j.diamond.2022.109651" @default.
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