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The surface structure of the indium phosphide (001)-(2ϫ1) reconstruction has been clarified in this work. Infrared spectra collected during atomic deuterium titration of the InP (001)-(2ϫ1) surface reveal a sharp P-H stretching mode at 2308 cm Ϫ1. Based on theoretical cluster calculations using density-functional theory, this mode results from a single hydrogen atom bonded to one end of a buckled phosphorus dimer. These results confirm that the (2ϫ1) structure is hydrogen stabilized as recently proposed in the literature.

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