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 language | English (US) |
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Pages (from-to) | L342-L346 |
Journal | Surface Science |
Volume | 216 |
Issue number | 1-2 |
DOIs | |
State | Published - Jun 1 1989 |
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry