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- W2005432993 abstract "Using density functional theory, we investigate the 6H-SiC{0001} surfaces in the unreconstructed 1 × 1 and the H-passivated configuration. The strong correlation effects of the dangling bonds at the surface are treated by spin-polarised calculations including the Hubbard-U parameter. We find that the clean surfaces are semiconducting with surface states in good agreement with experimental data. The impact of the Hubbard-U is stronger on the C-terminated face. For the H-passivated surfaces we find resonances in the valence band. The antibonding C−H state is located in the upper part of the bandgap around the ¯-point." @default.
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- W2005432993 date "2007-09-01" @default.
- W2005432993 modified "2023-09-27" @default.
- W2005432993 title "Ab Initio Study of Clean and Hydrogen-Saturated Unreconstructed SiC{0001} Surfaces" @default.
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- W2005432993 doi "https://doi.org/10.4028/www.scientific.net/msf.556-557.493" @default.
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