By using a first-principles energy-minimization approach, a half-monolayer P-terminated (100) surface structure was found which was characterized by the presence of Y-shaped tetramers which might account for certain scanning tunnelling microscopic observations. It was found that the 2 x 1 dimer structure was most favorable for the monolayer P-terminated surface; a fact which was thought to be related to some reflection high-energy electron diffraction observations of a (2 x 1)-reconstructed surface.

P-terminated InP(100) surface studied using a first-principles energy-minimization approach M.H.Tsai, C.F.Liu, L.K.Hsu: Physical Review B, 1998, 58[11], 6764-7