Abstract
We have performed ab initio pseudopotential calculations to investigate the bonding and atomic geometry of the S InP(110) system. For a full non-diffused monolayer coverage we find that S atoms form the epitaxially continued layer structure. Among various geometrical possibilities for non-diffused half-monolayer coverage, we find that the S atoms occupy the interchain bridging site. Our results are compared with recent X-ray standing wave measurements.
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