P-terminated InP(100) surface studied using a first-principles energy-minimization approach

摘要

Using a first-principles energy-minimization approach, we have found a half-monolayer P-terminated InP(100) surface structure, which is characterized by Y-shaped tetramers and may account for recent scanning tunneling microscopy observations by MacPherson et al. [Phys. Rev. Lett. 77, 691 (1996)]. For the monolayer P-terminated surface, we find that the 2x1 dimer structure is most favorable, which may be related to recent reflection high-energy electron-diffraction observations of Yang et al. [Jpn. J. Appl. Phys. 35, 1267 (1996)] of a (2x1)-reconstructed surface. [References: 37]