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Phys. Rev. B 61 (2000) pp. 15596-15599

Envelope functions for conduction electron states at GaAs(110)

J.E. Inglesfield

Department of Physics and Astronomy, University of Wales Cardiff, P.O. Box 913, Cardiff, CF2 3YB, United Kingdom

S. Crampin

Department of Physics, University of Bath, BA2 7AY, United Kingdom

Abstract
Low-lying conduction band wave-functions are calculated for semi-infinite GaAs(110), using the layer-KKR method. It is found that the envelope functions for the orbitals with even mirror symmetry are in quadrature with the envelopes for the odd orbitals. The even orbitals dominate, and a single envelope function with a node close to the surface works well. The tunneling into the surface barrier is rather constant for the states considered, within 0.28 eV of the bottom of the conduction band. Thus recent STM experiments on sub-surface impurity screening in accumulation layers with this amount of band-bending probe the surface charge density.