Interpretation of orientational contrast in STM images of GaAs(110) cleavage surface

摘要

The electronic structure of GaAs(1 10) surface is analyzed using Density Functional Theory (DFT-GGA) in atomic orbital basis (LCAO). The surface orbitals and the corresponding local density of electronic states (LDOS) are calculated for purposes of interpreting STM images. We show how local atomic orbitals of surface atoms are related to tunneling channels for electrons in STM imaging. A destructive interference between orbitals of two neighbouring atoms increases the contrast between the two atoms, and this is reflected in directionality of STM patterns of GaAs(I 10) surfaces. We also discuss how the basic formalism of Tersoff-Hamann approach to STM simulation can be reformulated to reveal the role of phase difference between tunneling channels. (c) 2005 Elsevier B.V. All rights reserved.