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The DFT calculations were performed in the local density approximation, employing the full potential linearized augmented plane wave method in thin film geometry as described in
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The DFT calculations were performed in the local density approximation, employing the full potential linearized augmented plane wave method in thin film geometry as described in http://www.flapw.de. Relaxation was taken into account and on one side the Si was terminated by H atoms to saturate the dangling bonds.
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