Modification of Phonon Spectral Densities of the (001) Copper Surface Due to Copper Adatoms by Molecular-Dynamics Simulation

dc.contributor.authorPapanicolaou, N. I.en
dc.contributor.authorLagaris, I. E.en
dc.contributor.authorEvangelakis, G. A.en
dc.date.accessioned2015-11-24T17:02:12Z
dc.date.available2015-11-24T17:02:12Z
dc.identifier.issn0039-6028-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/11023
dc.rightsDefault Licence-
dc.subjectadatomsen
dc.subjectcopperen
dc.subjectmolecular dynamics simulationen
dc.subjectphononsen
dc.subjectvibrations of adsorbed atomsen
dc.subjectembedded-atom methoden
dc.subjecttransition-metalsen
dc.subjectcomputer-simulationen
dc.subjectfcc transitionen
dc.subjectdefectsen
dc.subjectcu(100)en
dc.subjectanharmonicityen
dc.subjectdisorderen
dc.subjectcu(001)en
dc.subjectcu(110)en
dc.titleModification of Phonon Spectral Densities of the (001) Copper Surface Due to Copper Adatoms by Molecular-Dynamics Simulationen
heal.abstractPhonon spectral densities of the (001) copper surface containing copper adatoms have been calculated at various temperatures using molecular dynamics simulation. The results reveal that the presence of adatoms is manifested mainly by the appearance of new dispersionless peaks which are broadened and shifted to lower energies as the temperature increases. The existent experimental results, as well as lattice dynamics, ab initio calculations and other simulations in the case of a clean surface, are in good agreement with our predictions.en
heal.accesscampus-
heal.fullTextAvailabilityTRUE-
heal.journalNameSurface Scienceen
heal.journalTypepeer reviewed-
heal.languageen-
heal.publicationDate1995-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Ηλεκτρονικών Υπολογιστών και Πληροφορικήςel
heal.typejournalArticle-
heal.type.elΆρθρο Περιοδικούel
heal.type.enJournal articleen

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