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Stability of fcc (110) transition and noble metal surfaces
2000 (English)In: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 17, no 04-feb, 156-159 p.Article in journal (Refereed) Published
Abstract [en]

We have used density functional theory in conjunction with the full charge density linear muffin-tin orbitals method and a cluster expansion based on interatomic pair potentials to derive the energetics of vicinal surfaces on transition and noble metals, and we apply the results in a study of the stability of the fee (1 1 0) facet of these metals against the formation of 'rippled' surfaces consisting of vicinal facets with Miller indices (2 lambda + 1, 2 lambda, + 1,1) and (2 lambda + 1, 2 lambda + 1, (1) over bar).

Place, publisher, year, edition, pages
2000. Vol. 17, no 04-feb, 156-159 p.
Keyword [en]
density functional calculation, surface energy, vicinal surface, surface reconstruction, full charge-density, energy
Identifiers
URN: urn:nbn:se:kth:diva-19926ISI: 000088367300010OAI: oai:DiVA.org:kth-19926DiVA: diva2:338618
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Vitos, Levente

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