Theoretical study of the(3×2)reconstruction ofβ-SiC(001)

Abstract
By means of ab initio molecular dynamics and band-structure calculations, as well as using calculated scanning tunneling microscopy (STM) images, we have singled out one structural model for the (3×2) reconstruction of the Si-terminated (001) surface of cubic SiC, among several proposed in the literature. This is an alternate dimer-row model, with an excess Si coverage of 13, yielding STM images in good accord with recent measurements [F. Semond et al., Phys. Rev. Lett. 77, 2013 (1996)].
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