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note
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The relaxations have been calculated for the surface with the optimized theoretical lattice constant of 3.918 Å and have then been scaled to the experimental lattice constant of 4.026 Å. The resulting relaxations are then used for the calculation of the spectra.
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50
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33646608154
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note
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z states) indicates that there is no overlap of the surface states of the upper and lower surface, i.e., that the six-layer slab is sufficiently thick to decouple the two surfaces.
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