Abstract
We have performed local-density-approximation calculations on clusters modeling the CoSi 2/Si(111) and NiSi 2/Si(111) interfaces. On the basis of these calculations, we propose a new structure for the CoSi 2/Si(111) interface, in which the interface metal atom is 8-fold coordinated. In addition, we show that for NiSi 2/Si(111), the structure with 7-fold coordination of the interface metal atom is the most stable one. An explanation is given for the difference in interface structure between CoSi 2/Si(111) and NiSi 2/Si(111).
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