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Local and nonlocal contributions to adhesive energies at metallic interfaces

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
23
Issue
8
Identifiers
DOI: 10.1016/0038-1098(77)90642-1

Abstract

Abstract A self-consistent computation of the adhesive binding energy versus separation is reported for the following contacts: Al(111)-Al(111), Mg(0001)- Mg(0001), Zn(0001)-Zn(0001), and Na(110)-Na(110). Results are obtained for the local density approximation to exchange and correlation as well as for a nonlocal approximation. The resultant shapes of the adhesive binding energy curves varied substantially from metal to metal. The inclusion of nonlocality has little effect on the overall shape of the binding energy curves, but improves agreement of the binding energies as measured from the energy minimum with experimental surface energies.

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