Band structure and thermodynamic properties of He atoms near a MgO surface

Carey Schwartz, Majid Karimi, Gianfranco Vidali

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

The energy-band structure and thermodynamic properties of a single He atom adsorbed upon MgO are computed numerically. The bound-state energy eigenvalues, wave functions, and matrix elements were obtained by solving the single-particle Schrödinger equation using the recently developed semi-empirical potential of Karimi and Vidali as input. We find at the center of the Brillouin zone an effective mass enhancement m* m =1.081 that agrees well with the predictions of a perturbation theory. The heat capacity and isosteric heat of adsorption are calculated and compared to the data of Sullivan et al. [Surface Sci. 162 (1985) 461].

Original languageEnglish (US)
Pages (from-to)L342-L346
JournalSurface Science
Volume216
Issue number1-2
DOIs
StatePublished - Jun 1 1989

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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