Bi-covered InAs(110) surfaces: An ab initio study

In this work we have performed an ab initio investigation of the Bi-covered InAs(110) surface. We have considered two different structural models viz. ECLS and (1x2) missing row model. Our total energy results indicate that the (1x2) model is energetically more favourable than the ECLS model, thus, supporting the recent experimental results by Betti et al. [Phys. Rev. B 59 (1999) 15760]. However, the calculated equilibrium atomic geometry indicates some disagreement with respect to the experimental measurements. The "surface electronic topology" of the Bi/InAs(110) surface was investigated through simulations of scanning tunneling microscopy (STM) images, where we inferred a semimetallic character along the Bi-chains of the (1x2) model. (C) 2004 Elsevier B.V. All rights reserved.