Effect of nonadditive forces on the binding of closed-shell adsorbates on closed-shell substrates. I. Ar/Ar(100)
- 15 January 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 9 (2) , 741-747
- https://doi.org/10.1103/physrevb.9.741
Abstract
A local-density approach, introduced by Gordon and Kim, is used to assess the effects of nonpair forces on the binding of closed-shell atoms on closed-shell surfaces. The nonpair effects enter the kinetics, exchange, and correlation contributions to the potential. Calculations are performed for an Ar atom bound at various sites on a (100) Ar surface. These effects modify the binding energies by as much as ∼ 12% and the barrier to surface mobility by ∼ 70%. The magnitude of these deviations indicates a real need for further first-principles calculations.Keywords
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