Atomic geometry, electronic states and vibrational properties of the AlAs(110) surface

Abstract

We have investigated the atomic geometry and electronic structure of the AlAs(110) surface by using the local density approximation of the density functional theory and ab initio pseudopotentials. The structural and electronic results have been used in the application of the adiabatic bond charge model for surface phonon studies. By comparing the results with other III-V(110) surfaces, we have obtained some general trends regarding the surface dynamics. (C) 2000 Elsevier Science B.V. All rights reserved.