Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures

Handle URI:
http://hdl.handle.net/10754/315754
Title:
Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures
Authors:
Nazir, Safdar; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Nazir S, Schwingenschlögl U (2013) Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures. Appl Phys Lett 102: 141604. doi:10.1063/1.4801514.
Publisher:
AIP Publishing
Journal:
Applied Physics Letters
Issue Date:
11-Apr-2013
DOI:
10.1063/1.4801514
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/102/14/10.1063/1.4801514
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorNazir, Safdaren
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T12:30:16Z-
dc.date.available2014-04-13T12:30:16Z-
dc.date.issued2013-04-11en
dc.identifier.citationNazir S, Schwingenschlögl U (2013) Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures. Appl Phys Lett 102: 141604. doi:10.1063/1.4801514.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.4801514en
dc.identifier.urihttp://hdl.handle.net/10754/315754en
dc.description.abstractThe spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/102/14/10.1063/1.4801514en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleStrain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructuresen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalApplied Physics Lettersen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdomen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorNazir, Safdaren
kaust.authorSchwingenschlögl, Udoen
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