Indiffusion and Chemisorption of B, C, and N on GaAs and InP

  • M. Menon
  • R. E. Allen
Conference paper
Part of the Springer Series in Surface Sciences book series (SSSUR, volume 11)

Abstract

Recently we introduced a technique that permits -- for the first time --realistic simulations of atomic motion in systems with covalent or metallic bonding [1–7]. The essential idea is to compute the atomic forces directly from the electronic structure, using the Hellmann-Feynman theorem together with novel Green’s function techniques [2]. The results are found to be in quantitative agreement with the existing experimental measurements (and the best theoretical calculations) of surface relaxation [8,9], chemisorption bond lengths [10], chemisorption sites [11,12] phonon frequencies [13], and basic chemical tendencies [14]. The simulations of chemisorption for many chemical species on GaAs and InP have led to a number of interesting and unexpected observations [5–7].

Keywords

GaAs Chemisorption 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1988

Authors and Affiliations

  • M. Menon
    • 1
  • R. E. Allen
    • 1
  1. 1.Center for Theoretical Physics, Department of PhysicsTexas A&M UniversityCollege StationUSA

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