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Theory of Work-Function Changes Induced by Alkali Adsorption
Abstract
Changes of the work function due to adsorption of alkali atoms by a high-work-function substrate are studied using a very simple ("jellium") model of the metallic substrate-adsorbate system. A self-consistent quantum-mechanical analysis of the model leads to a work-function-vs-coverage curve with a minimum at a coverage below that of a single full adsorbed layer, and a maximum at completion of the layer. Good agreement with the results of recent measurements is obtained for these extremal values; and, though not designed to treat very low coverages, the model yields an initial dipole moment in satisfactory agreement with experiment. The computed full-layer work function is very nearly equal to that obtained theoretically for the corresponding bulk sample. A study of limiting cases provides a framework for viewing the results of the calculation in a coherent way.
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Cited by
Theory of atomic chemisorption on simple metals
Lang, N. D., & Williams, A. R. (1978) · Physical Review B · doi:10.1103/physrevb.18.616 · Cited by 565
Self-citationKhazaei, M., Arai, M., Sasaki, T., Ranjbar, A., Liang, Y., & Yunoki, S. (2015) · Physical Review B · doi:10.1103/physrevb.92.075411 · Cited by 516
The Density-Functional Formalism and the Electronic Structure of Metal Surfaces
Lang, N. D. (1974) · Solid State Physics · doi:10.1016/s0081-1947(08)60204-0 · Cited by 358
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Metadata
- Authors
- Lang, N. D.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1971-12-15
- Volume
- 4
- Issue
- 12
- Pages
- 4234-4244
- ISSN
- 0556-2805 (ISSN-L)
- OpenAlex
- W2013817808
- Cited by
- 412
- References
- 1
- FWCI
- 5.98
- Type
- journal article
- Language
- en
- Open access
- closed
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