DENSITY-FUNCTIONAL AND QUASI-PARTICLE CALCULATIONS ON THE INP(110) SURFACE

We present the results of density functional and quasi-particle calcul ations on the (110) surface of InP. The density functional calculation s are performed in a plane wave basis using ab initio pseudopotentials and constitute the starting point for a simple scheme of quasi-partic le correction based upon the GW approach, In contrast to other GW sche mes, our quasi-particle corrections are obtained with a minimum of fur ther computation beyond that required for the density functional work. Nevertheless, our quasi-particle results show Hood agreement with a p revious GW calculation and with experiment. Furthermore, our work clea rly shows that there is a non-rigid correction to density functional t heory which could not be accounted for within any simple scissors oper ator approach.