Half-metallicity in a BiFeO3/La2/3Sr1/3MnO3 superlattice: A first-principles study

Handle URI:
http://hdl.handle.net/10754/562801
Title:
Half-metallicity in a BiFeO<sub>3</sub>/La<sub>2/3</sub>Sr<sub>1/3</sub>MnO<sub>3</sub> superlattice: A first-principles study
Authors:
Jilili, Jiwuer; Eckern, Ulrich; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
IOP Publishing
Journal:
EPL (Europhysics Letters)
Issue Date:
1-Jun-2013
DOI:
10.1209/0295-5075/102/67009
Type:
Article
ISSN:
02955075
Sponsors:
Financial support by the Deutsche Forschungsgemeinschaft (TRR 80) is gratefully acknowledged.
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.authorJilili, Jiwueren
dc.contributor.authorEckern, Ulrichen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:10:44Zen
dc.date.available2015-08-03T11:10:44Zen
dc.date.issued2013-06-01en
dc.identifier.issn02955075en
dc.identifier.doi10.1209/0295-5075/102/67009en
dc.identifier.urihttp://hdl.handle.net/10754/562801en
dc.description.abstractWe present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.en
dc.description.sponsorshipFinancial support by the Deutsche Forschungsgemeinschaft (TRR 80) is gratefully acknowledged.en
dc.publisherIOP Publishingen
dc.titleHalf-metallicity in a BiFeO<sub>3</sub>/La<sub>2/3</sub>Sr<sub>1/3</sub>MnO<sub>3</sub> superlattice: A first-principles studyen
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.journalEPL (Europhysics Letters)en
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germanyen
kaust.authorSchwingenschlögl, Udoen
kaust.authorJilili, Jiwueren
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