The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
Reconstruction mechanism of fcc transition metal (001) surfaces
Open accessAbstract
Ab initio studies of the reconstruction mechanism of (001) fcc transition metal surfaces are presented, showing that a close-packed quasihexagonal reconstruction is possible for the late 5d metals Ir, Pt, and Au, while it is disfavored in the isovalent 4d metals Rh, Pd, and Ag. The driving mechanism is identified in the tensile excess stress of the unreconstructed surfaces. The stress overcomes the substrate resistance to reconstruction only in 5d metals, where it is much larger than in 4d metals because of the stronger relativistic effects. The origin of surface stress is a d charge depletion from the surface layer.
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Cites
Vosko, S. H., Wilk, L., & Nusair, M. (1980) · Canadian Journal of Physics · doi:10.1139/p80-159 · Cited by 20,768
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
Mulliken, R. S. (1955) · The Journal of Chemical Physics · doi:10.1063/1.1740588 · Cited by 11,049
Relativistic effects in structural chemistry
Pyykko, P. (1988) · Chemical Reviews · doi:10.1021/cr00085a006 · Cited by 3,046
The surface reconstructions of the (100) crystal faces of iridium, platinum and gold
Van Hove, M. A., Koestner, R. J., Stair, P. C., Bibérian, J. P., Kesmodel, L. L., BartoŠ, I., & Somorjai, G. A. (1981) · Surface Science · doi:10.1016/0039-6028(81)90107-2 · Cited by 747
Trends of the surface relaxations, surface energies, and work functions of the 4 d transition metals
Methfessel, M., Hennig, D., & Scheffler, M. (1992) · Physical Review B · doi:10.1103/physrevb.46.4816 · Cited by 572
Self-citationMethfessel, M., Rodriguez, C. O., & Andersen, O. K. (1989) · Physical Review B · doi:10.1103/physrevb.40.2009 · Cited by 509
Self-citationFiorentini, V., Methfessel, M., & Scheffler, M. (1993) · Physical Review B · doi:10.1103/physrevb.47.13353 · Cited by 195
Self-citationSurface energy and stress of lead (111) and (110) surfaces
Mansfield, M., & Needs, R. J. (1991) · Physical review. B, Condensed matter · doi:10.1103/physrevb.43.8829 · Cited by 77
Cited by
The intrinsic stress of polycrystalline and epitaxial thin metal films
Koch, R. (1994) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/6/45/005 · Cited by 451
Koenigsmann, C., & Wong, S. S. (2011) · Energy Environ. Sci. · doi:10.1039/c0ee00197j · Cited by 392
How a gold substrate can increase the reactivity of a Pt overlayer
Pedersen, M. Ø., Helveg, S., Ruban, A., Stensgaard, I., Lægsgaard, E., Nørskov, J. K., & Besenbacher, F. (1999) · Surface Science · doi:10.1016/s0039-6028(99)00385-4 · Cited by 276
Metadata
- Authors
- Fiorentini, V., Methfessel, M., & Scheffler, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1993-08-16
- Volume
- 71
- Issue
- 7
- Pages
- 1051-1054
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1964726683
- Cited by
- 275
- References
- 8
- FWCI
- 8.10
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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