Abstract
The atomic structure and electronic states of Si dimers on the silicon-terminated 3 C-SiC(001)2 × 1 surface have been investigated by first-principles calculations and photoemission spectroscopy. The structural optimization indicates weakly bonded Si dimers in contrast to previous experimental findings. The combination of band-structure calculations and angular-resolved ultraviolet photoemission spectroscopy measurements suggests a confirmation of the modeled surface reconstruction.
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