O/Ni(111): Lateral interactions and binding-energy difference between fcc and hcp sites

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dc.identifier.uri http://dx.doi.org/10.15488/2789
dc.identifier.uri http://www.repo.uni-hannover.de/handle/123456789/2815
dc.contributor.author Schwennicke, C.
dc.contributor.author Pfnür, Herbert
dc.date.accessioned 2018-02-19T14:57:15Z
dc.date.available 2018-02-19T14:57:15Z
dc.date.issued 1997
dc.identifier.citation Schwennicke, C.; Pfnür, H.: O/Ni(111): Lateral interactions and binding-energy difference between fcc and hcp sites. In: Physical Review B 56 (1997), Nr. 16, S. 10558-10566. DOI: https://doi.org/10.1103/PhysRevB.56.10558
dc.description.abstract Based on low-energy electron diffraction structural investigations of ordered and disordered phases of O/Ni(111) that show that occupation of both fcc and hcp sites can be forced either by thermal activation or by coverage, the lateral interactions and the binding-energy difference of fcc and hcp sites are redetermined for this system by simulating the phase diagram with Monte Carlo simulations, concentrating on the coverage range between 0.25 and 0.33 ML. From a comparison of the temperature dependence of the occupation probability of fcc and hcp sites in experiment and simulations, the difference in binding energy between fcc and hcp sites is determined to be 46 meV. Using a minimum set of five pairwise lateral interactions, the experimental phase diagram in the investigated coverage range is reproduced in detail. Even the complex diffraction patterns experimentally observed in the domain-wall phase are well reproduced in the simulations. We show in particular that this phase is only stabilized by entropy. Critical properties of the p(2×2) order-disorder transition are discussed briefly. eng
dc.language.iso eng
dc.publisher College Park, MD : American Physical Society
dc.relation.ispartofseries Physical Review B 56 (1997), Nr. 16
dc.rights Es gilt deutsches Urheberrecht. Das Dokument darf zum eigenen Gebrauch kostenfrei genutzt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden.
dc.subject Monte Carlo simulation eng
dc.subject ordered phases eng
dc.subject disordered phases eng
dc.subject temperature dependence eng
dc.subject.ddc 530 | Physik ger
dc.title O/Ni(111): Lateral interactions and binding-energy difference between fcc and hcp sites eng
dc.type Article
dc.type Text
dc.relation.issn 10980121
dc.relation.doi https://doi.org/10.1103/PhysRevB.56.10558
dc.bibliographicCitation.issue 16
dc.bibliographicCitation.volume 56
dc.bibliographicCitation.firstPage 10558
dc.bibliographicCitation.lastPage 10566
dc.description.version publishedVersion
tib.accessRights frei zug�nglich

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