Atomic geometry, electronic structure, and vibrational properties of the AlSb(110) and GaSb(110) surfaces

Abstract

We have investigated the atomic geometry and electronic structure of the clean (110) surfaces of AlSb and GaSb using the nb initio pseudopotential theory. The calculated atomic geometry for these surfaces is in good agreement with experimental and previous theoretical results. The calculated electronic spectrum for the GaSb(110) surface agrees very well with photoemission results. We have used our atomic geometry to study surface phonons on these surfaces by applying the adiabatic bond-charge model. The calculated phonon spectra for both surfaces compare very well with results obtained from a recent high-resolution electron-energy-loss spectroscopy experiment. The results are used to draw some general trends for surface phonons on III-V(110). [S0163-1829(99)02108-6].