Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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A Theoretical Study of Gas-Surface Phonon Scattering: Model He-Si(100) Bulk and Reconstructed Surfaces

  • Seung Chul Park (Department of Chemistry and Institute of Basic Science) ;
  • Chang Hwan Rhee (Department of Chemistry and Institute of Basic Science) ;
  • Woong Lin Hwang (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Yoon Sup Lee (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Myung Soo Kim (Department of Chemistry, Seoul National University)
  • Published : 1991.08.20
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Abstract

We present a theoretical investigation of the inelastic atom-surface phonon scattering for a model He-Si(100) system by the classical trajectory-quantum forced oscillator(DECENT) method. Single and multi-phonon transition probabilities of normal modes are calculated for several initial beam orientations and several initial kinetic energies. In order to understand surface structure effects, the calculation has been done on both reconstructed and unreconstructed surfaces of the He/Si(100) system. The origin of mode specificity for energy transfer is discussed. The contribution of one, two, and multi-phonon events to the total energy transfer between 0 and 600 K is also given.

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