Polar catastrophe at the MgO(100)/SnO2(110) interface

Handle URI:
http://hdl.handle.net/10754/622451
Title:
Polar catastrophe at the MgO(100)/SnO2(110) interface
Authors:
Albar, Arwa ( 0000-0001-7547-5105 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
First principles calculations, based on density functional theory, are used to investigate the structural and electronic properties of the epitaxial MgO(100)/SnO2(110) interface of wide band gap insulators. Depending on the interface termination, nonmagnetic metallic and half-metallic interface states are observed. The formation of these states is explained by a polar catastrophe model for nonpolar-polar interfaces. Strong lattice distortions and buckling develop in SnO2, which influence the interface properties as the charge discontinuity is partially screened. Already a single unit cell of SnO2 is sufficient to drive the polar catastrophe scenario. © 2016 The Royal Society of Chemistry.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Albar A, Schwingenschlögl U (2016) Polar catastrophe at the MgO(100)/SnO2(110) interface. J Mater Chem C 4: 11129–11134. Available: http://dx.doi.org/10.1039/c6tc04264c.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
J. Mater. Chem. C
Issue Date:
14-Nov-2016
DOI:
10.1039/c6tc04264c
Type:
Article
ISSN:
2050-7526; 2050-7534
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://pubs.rsc.org/en/Content/ArticleLanding/2016/TC/C6TC04264C
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorAlbar, Arwaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-01-02T09:28:32Z-
dc.date.available2017-01-02T09:28:32Z-
dc.date.issued2016-11-14en
dc.identifier.citationAlbar A, Schwingenschlögl U (2016) Polar catastrophe at the MgO(100)/SnO2(110) interface. J Mater Chem C 4: 11129–11134. Available: http://dx.doi.org/10.1039/c6tc04264c.en
dc.identifier.issn2050-7526en
dc.identifier.issn2050-7534en
dc.identifier.doi10.1039/c6tc04264cen
dc.identifier.urihttp://hdl.handle.net/10754/622451-
dc.description.abstractFirst principles calculations, based on density functional theory, are used to investigate the structural and electronic properties of the epitaxial MgO(100)/SnO2(110) interface of wide band gap insulators. Depending on the interface termination, nonmagnetic metallic and half-metallic interface states are observed. The formation of these states is explained by a polar catastrophe model for nonpolar-polar interfaces. Strong lattice distortions and buckling develop in SnO2, which influence the interface properties as the charge discontinuity is partially screened. Already a single unit cell of SnO2 is sufficient to drive the polar catastrophe scenario. © 2016 The Royal Society of Chemistry.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://pubs.rsc.org/en/Content/ArticleLanding/2016/TC/C6TC04264Cen
dc.titlePolar catastrophe at the MgO(100)/SnO2(110) interfaceen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJ. Mater. Chem. Cen
kaust.authorAlbar, Arwaen
kaust.authorSchwingenschlögl, Udoen
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