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dc.contributor.authorGrytsyuk, Sergiy
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-04-13T13:36:10Z
dc.date.available2014-04-13T13:36:10Z
dc.date.issued2013-10-16
dc.identifier.citationGrytsyuk S, Schwingenschlögl U (2013) First-principles modeling of magnetic misfit interfaces. Phys Rev B 88. doi:10.1103/PhysRevB.88.165414.
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.doi10.1103/PhysRevB.88.165414
dc.identifier.urihttp://hdl.handle.net/10754/315770
dc.description.abstractWe investigate the structural and magnetic properties of interfaces with large lattice mismatch, choosing Pt/Co and Au/Co as prototypes. For our first-principles calculations, we reduce the lattice mismatch to 0.2% by constructing Moiré supercells. Our results show that the roughness and atomic density, and thus the magnetic properties, depend strongly on the substrate and thickness of the Co slab. An increasing thickness leads to the formation of a Co transition layer at the interface, especially for Pt/Co due to strong Pt-Co interaction. A Moiré supercell with a transition layer is found to reproduce the main experimental findings and thus turns out to be the appropriate model for simulating magnetic misfit interfaces.
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.88.165414
dc.rightsArchived with thanks to Physical Review B
dc.titleFirst-principles modeling of magnetic misfit interfaces
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germany
dc.contributor.institutionSchool of Physics and CRANN, Trinity College, Dublin 2, Ireland
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personSchwingenschlögl, Udo
kaust.personGrytsiuk, Sergii
refterms.dateFOA2018-06-13T14:12:30Z


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