GEOMETRY AND ELECTRONIC-STRUCTURE OF SELENIUM-TREATED INP(110)

We present theoretical studies of the atomic and electronic structure of the Se-treated InP(110) surface. The calculations are based on dens ity functional theory within the pseudopotential approach and the loca l density approximation. Geometry optimization has been performed on b oth an epitaxial growth of Se and an ordered Se-reacted surface. Elect ronic band structures for both geometrical models are presented in ord er to explain the recently observed angle-resolved valence band spectr a by photoemission method. We also discuss the similarities and contra st the differences in the atomic and electronic structures between the Se-treated and the Bi-covered surfaces.