Application of the matching procedure to the calculation of phonon dispersion on Ni(100) covered with a C(2×2) overlayer

J. Szeftel, A. Khater, F. Mila

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Abstract

The equations of motion are worked out for the atoms of a semi-infinite crystal covered with a commensurate adsorbate by using the clean crystal as a basis. This procedure produces a complete set of displacement fields consistent with the relevant space-group symmetry. These equations are solved with help of the matching procedure to give the surface even phonon and resonance dispersion curves in the (010) direction of Ni(1OO) covered with a C(2×2) oxygen overlayer. The consequences of the adsorbate induced folding of the Brillouin zone upon the bulk and surface phonons are analysed. Using symmetry adapted coordinates secures a straightforward identification of the loss features observed by EELS.

Original languageEnglish
Pages (from-to)361-372
Number of pages12
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume44
Issue number1
DOIs
Publication statusPublished - 1987
Externally publishedYes

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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