Dynamical calculation of low-energy electron diffraction intensities from GaAs(110): Influence of boundary conditions, exchange potential, lattice vibrations, and multilayer reconstructions

R. J. Meyer, C. B. Duke, A. Paton, A. Kahn, E. So, J. L. Yeh, and P. Mark
Phys. Rev. B 19, 5194 – Published 15 May 1979
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Abstract

Dynamical calculations of the intensities of normally incident low-energy electrons diffracted from GaAs(110), performed using a matrix-inversion method, are compared both with earlier kinematical calculations and with measured intensities. The insensitivity of the calculated intensities to the choice of exchange potential and vacuum-solid boundary conditions is displayed. Surface lattice vibrations are found to be adequately described by the bulk Debye temperature. We consider second- and third-layer structural distortions as well as top-layer reconstructions. This analysis leads to the selection of the most probable surface structure for GaAs(110) as one in which the top layer undergoes both a rigid rotation of 27.4° and a 0.05-Å contraction with the As atoms moving outward and the Ga atoms inward, giving a relative vertical shear of 0.65 Å. In the second layer the Ga moves outward 0.06 Å and the second-layer As moves inward 0.06 Å. The dynamical analysis reported herein shows no evidence for third-layer distortions.

  • Received 2 November 1978

DOI:https://doi.org/10.1103/PhysRevB.19.5194

©1979 American Physical Society

Authors & Affiliations

R. J. Meyer, C. B. Duke, and A. Paton

  • Xerox Webster Research Center, Xerox Square-114, Rochester, New York 14644

A. Kahn, E. So, J. L. Yeh, and P. Mark

  • Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08540

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Vol. 19, Iss. 10 — 15 May 1979

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