An analytical model for the study of anharmonic dynamics in surfaces

A. Khater

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

An exact analytic formulation is presented for the dynamics of anharmonic low index surfaces of fcc crystals, based on an anharmonic pair potential coupling the first and second surface layers. This yields a general analytic expression for helium specular scattering at thermal energies in low index surfaces. The theoretical results are in agreement, in particular, with experimental data for Cu(1 0 0). The mean square displacements for surface layer sites are calculated as a function of temperature in this approach, and found to be in agreement with the results of the molecular dynamics simulation for Cu(1 0 0). The anharmonic pair potential strength is evaluated. The analytic formulation for the thermal attenuation of helium specular scattering in anharmonic surfaces, should make possible the selective access to the scattered intensities from other quasi-elastic surface processes notably at high temperature.

Original languageEnglish
Pages (from-to)264-270
Number of pages7
JournalSurface Science
Volume496
Issue number3
DOIs
Publication statusPublished - 10 Jan 2002
Externally publishedYes

Fingerprint

Analytical models
surface layers
Helium
helium
formulations
scattering
thermal energy
Scattering
attenuation
molecular dynamics
Thermal energy
Molecular dynamics
crystals
Temperature
Crystals
simulation
Computer simulation
temperature

Keywords

  • Atom-solid interactions, scattering, diffraction
  • Copper
  • Low index single crystal surfaces
  • Molecular dynamics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

An analytical model for the study of anharmonic dynamics in surfaces. / Khater, A.

In: Surface Science, Vol. 496, No. 3, 10.01.2002, p. 264-270.

Research output: Contribution to journalArticle

Khater, A. / An analytical model for the study of anharmonic dynamics in surfaces. In: Surface Science. 2002 ; Vol. 496, No. 3. pp. 264-270.
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