The surface structure of the indium phosphide (001)-(2 x 1) reconstruction was clarified in this work. Infrared spectra collected during atomic deuterium titration of the InP (001)-(2 x 1) surface reveal a sharp P-H stretching mode at 2308/cm. 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 x 1) structure was hydrogen stabilized.

Direct Evidence for a Hydrogen-Stabilized Indium Phosphide (001)-(2 x 1): Surface Reconstruction. G.Chen, S.F.Cheng, D.J.Tobin, L.Li, K.Raghavachari, R.F.Hicks: Physical Review B, 2003, 68[12], 121303 (3pp)