Abstract
The surface structure of the indium phosphide $(001)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ reconstruction has been clarified in this work. Infrared spectra collected during atomic deuterium titration of the InP $(001)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ surface reveal a sharp P-H stretching mode at 2308 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$. 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 $(2\ifmmode\times\else\texttimes\fi{}1)$ structure is hydrogen stabilized as recently proposed in the literature.
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