Stress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimes

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorJalkanen, J.
dc.contributor.authorRossi, G.
dc.contributor.authorTrushin, O.
dc.contributor.authorGranato, E.
dc.contributor.authorAla-Nissilä, Tapio
dc.contributor.authorYing, S.-C.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-04-28T09:45:23Z
dc.date.available2015-04-28T09:45:23Z
dc.date.issued2010
dc.description.abstractWe study the strain relaxation mechanisms of Cu on Pd(111) up to the monolayer regime using two different computational methodologies, basin-hopping global optimization and energy minimization with a repulsive bias potential. Our numerical results are consistent with experimentally observed layer-by-layer growth mode. However, we find that the structure of the Cu layer is not fully pseudomorphic even at low coverages. Instead, the Cu adsorbates forms fcc and hcp stacking domains, separated by partial misfit dislocations. We also estimate the minimum energy path and energy barriers for transitions from the ideal epitaxial state to the fcc-hcp domain pattern.en
dc.description.versionPeer revieweden
dc.format.extent041412/1-4
dc.format.mimetypeapplication/pdfen
dc.identifier.citationJalkanen, J. & Rossi, G. & Trushin, O. & Granato, E. & Ala-Nissilä, Tapio & Ying, S.-C. 2010. Stress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimes. Physical Review B. Volume 81, Issue 4. P. 041412/1-4. ISSN 1098-0121 (printed). DOI: 10.1103/physrevb.81.041412.en
dc.identifier.doi10.1103/physrevb.81.041412
dc.identifier.issn1098-0121 (printed)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/15811
dc.identifier.urnURN:NBN:fi:aalto-201504282472
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 81, Issue 4
dc.rights© 2010 American Physical Society (APS). http://www.aps.orgen
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordthin filmsen
dc.subject.keywordheteroepitaxyen
dc.subject.keyworddislocationen
dc.subject.otherPhysicsen
dc.titleStress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
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