Magnetic exchange at realistic CoO/Ni interfaces

Handle URI:
http://hdl.handle.net/10754/562251
Title:
Magnetic exchange at realistic CoO/Ni interfaces
Authors:
Grytsyuk, Sergiy; Cossu, Fabrizio; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
EDP Sciences
Journal:
European Physical Journal B
Issue Date:
30-Jul-2012
DOI:
10.1140/epjb/e2012-30094-2
Type:
Article
ISSN:
14346028
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorGrytsyuk, Sergiyen
dc.contributor.authorCossu, Fabrizioen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T09:58:04Zen
dc.date.available2015-08-03T09:58:04Zen
dc.date.issued2012-07-30en
dc.identifier.issn14346028en
dc.identifier.doi10.1140/epjb/e2012-30094-2en
dc.identifier.urihttp://hdl.handle.net/10754/562251en
dc.description.abstractWe study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.en
dc.publisherEDP Sciencesen
dc.titleMagnetic exchange at realistic CoO/Ni interfacesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalEuropean Physical Journal Ben
kaust.authorCossu, Fabrizioen
kaust.authorSchwingenschlögl, Udoen
kaust.authorGrytsyuk, Sergiyen
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