First-principles modeling of magnetic misfit interfaces

Handle URI:
http://hdl.handle.net/10754/315770
Title:
First-principles modeling of magnetic misfit interfaces
Authors:
Grytsyuk, Sergiy; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Grytsyuk S, Schwingenschlögl U (2013) First-principles modeling of magnetic misfit interfaces. Phys Rev B 88. doi:10.1103/PhysRevB.88.165414.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
16-Aug-2013
DOI:
10.1103/PhysRevB.88.165414
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.88.165414
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorGrytsyuk, Sergiyen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T13:36:10Z-
dc.date.available2014-04-13T13:36:10Z-
dc.date.issued2013-08-16en
dc.identifier.citationGrytsyuk S, Schwingenschlögl U (2013) First-principles modeling of magnetic misfit interfaces. Phys Rev B 88. doi:10.1103/PhysRevB.88.165414.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.88.165414en
dc.identifier.urihttp://hdl.handle.net/10754/315770en
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.en
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.88.165414en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleFirst-principles modeling of magnetic misfit interfacesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germanyen
dc.contributor.institutionSchool of Physics and CRANN, Trinity College, Dublin 2, Irelanden
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
kaust.authorGrytsyuk, Sergiyen
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