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- W1986459017 abstract "The structural and electronic properties of CdTe(001), CdSe(001), and ZnSe(001) C(2 x 2) reconstructed surfaces have been investigated through the use of first-principles calculations. To simulate the surface, we employed the slab model. Using the experimentally determined lattice parameters as inputs, we relaxed the internal atomic positions of the outer atomic layers. We demonstrate that our model appropriately reproduces both the surface structural parameters and the known electronic properties found for these semiconductor compounds in bulk. Finally, we discuss our results of the projected bulk bands and the surface and resonance states found for these surfaces." @default.
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- W1986459017 date "2015-01-21" @default.
- W1986459017 modified "2023-09-28" @default.
- W1986459017 title "Ab initioelectronic band structure study of the valence bands of II-VIC(2 × 2) reconstructed surfaces" @default.
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- W1986459017 doi "https://doi.org/10.1088/1742-6596/574/1/012118" @default.
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