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Cited by 1,930

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

Theory of Metal Surfaces: Charge Density and Surface Energy

Lang, N. D., Kohn, W.·1970·Physical Review B
DOI 10.1103/physrevb.1.4555
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Abstract

The first part of this paper deals with the jellium model of a metal surface. The theory of the inhomogeneous electron gas, with local exchange and correlation energies, is used. Self-consistent electron density distributions are obtained. The surface energy is found to be negative for high densities (${\mathcal{r}}_{s}\ensuremath{\le}2.5$). In the second part, two corrections to the surface energy are calculated which arise when the positive background model is replaced by a pseudopotential model of the ions. One correction is a cleavage energy of a classical neutralized lattice, the other an interaction energy of the pseudopotentials with the electrons. Both of these corrections are essential at higher densities (${\mathcal{r}}_{s}\ensuremath{\le}4$). The resulting surface energy is in semiquantitative agreement with surface-tension measurements for eight simple metals (Li, Na, K, Rb, Cs, Mg, Zn, Al), typical errors being about 25%. For Pb there is a serious disagreement.

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Metadata

Authors
Lang, N. D., & Kohn, W.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
1970-06-15
Volume
1
Issue
12
Pages
4555-4568
ISSN
0556-2805 (ISSN-L)
DOI
10.1103/physrevb.1.4555
OpenAlex
W2045839260
Cited by
1,930
References
1
FWCI
23.97
Type
journal article
Language
en
Open access
closed

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