Electronic and vibrational properties of the GaSb(110) surface

Abstract

Results of ab initio pseudopotential calculations for atomic geometry and electronic band structure of the GaSb(110) surface are presented and discussed. The calculated atomic geometry is in good agreement with low-energy electron diffraction analysis. Our electronic structure agrees very well with angle-resolved photoemission measurements. The relaxed atomic geometry is used for calculations of the surface phonon modes within the adiabatic bond-charge model. The calculated phonon spectrum compares very well with the data obtained in a recent high-resolution electron energy-loss spectroscopy experiment. We also provide an analysis of the polarisation characteristics of important surface phonon modes. (C) 1999 Elsevier Science B.V. All rights reserved.