Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Handle URI:
http://hdl.handle.net/10754/315751
Title:
Vacancy induced metallicity at the CaHfO3/SrTiO3 interface
Authors:
Nazir, Safdar; Pulikkotil, J. J.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 )
Abstract:
Density functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Nazir S, Pulikkotil JJ, Singh N, Schwingenschlögl U (2011) Vacancy induced metallicity at the CaHfO[sub 3]/SrTiO[sub 3] interface. Appl Phys Lett 98: 133114. doi:10.1063/1.3573808.
Publisher:
AIP Publishing
Journal:
Applied Physics Letters
Issue Date:
31-Mar-2011
DOI:
10.1063/1.3573808
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/98/13/10.1063/1.3573808
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.authorPulikkotil, J. J.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSingh, Nirpendraen
dc.date.accessioned2014-04-13T12:25:46Z-
dc.date.available2014-04-13T12:25:46Z-
dc.date.issued2011-03-31en
dc.identifier.citationNazir S, Pulikkotil JJ, Singh N, Schwingenschlögl U (2011) Vacancy induced metallicity at the CaHfO[sub 3]/SrTiO[sub 3] interface. Appl Phys Lett 98: 133114. doi:10.1063/1.3573808.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.3573808en
dc.identifier.urihttp://hdl.handle.net/10754/315751en
dc.description.abstractDensity functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/98/13/10.1063/1.3573808en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleVacancy induced metallicity at the CaHfO3/SrTiO3 interfaceen
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 2BP, United Kingdomen
dc.contributor.institutionMaterials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545, United Statesen
dc.contributor.institutionInstitute of Material Physics, University of Münster, Wilhelm-Klemm-Straße 10, D-48149 Münster, Germanyen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorNazir, Safdaren
kaust.authorPulikkotil, Jiji Thomas Josephen
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.