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dc.contributor.author
Spaldin, Nicola A.
dc.contributor.author
Efe, Ipek
dc.contributor.author
Rossell, Marta D.
dc.contributor.author
Gattinoni, Chiara
dc.date.accessioned
2021-08-04T10:29:33Z
dc.date.available
2021-04-24T03:11:02Z
dc.date.available
2021-04-27T09:24:10Z
dc.date.available
2021-05-20T13:15:43Z
dc.date.available
2021-08-04T10:29:33Z
dc.date.issued
2021-04-21
dc.identifier.issn
0021-9606
dc.identifier.issn
1089-7690
dc.identifier.other
10.1063/5.0046061
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/480341
dc.identifier.doi
10.3929/ethz-b-000480341
dc.description.abstract
We review the concept of surface charge, first, in the context of the polarization in ferroelectric materials and, second, in the context of layers of charged ions in ionic insulators. While the former is traditionally discussed in the ferroelectrics community and the latter in the surface science community, we remind the reader that the two descriptions are conveniently unified within the modern theory of polarization. In both cases, the surface charge leads to electrostatic instability—the so-called “polar catastrophe”—if it is not compensated, and we review the range of phenomena that arise as a result of different compensation mechanisms. We illustrate these concepts using the example of the prototypical multiferroic bismuth ferrite, BiFeO3, which is unusual in that its spontaneous ferroelectric polarization and the polarization arising from its layer charges can be of the same magnitude. As a result, for certain combinations of polarization orientation and surface termination, its surface charge is self-compensating. We use density functional calculations of BiFeO3 slabs and superlattices, analysis of high-resolution transmission electron micrographs, and examples from the literature to explore the consequences of this peculiarity.
en_US
dc.format
application/pdf
en_US
dc.language.iso
en
en_US
dc.publisher
American Institute of Physics
en_US
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/
dc.title
Layer and spontaneous polarizations in perovskite oxides and their interplay in multiferroic bismuth ferrite
en_US
dc.type
Journal Article
dc.rights.license
Creative Commons Attribution 4.0 International
dc.date.published
2021-04-16
ethz.journal.title
The Journal of Chemical Physics
ethz.journal.volume
154
en_US
ethz.journal.issue
15
en_US
ethz.journal.abbreviated
J. Chem. Phys.
ethz.pages.start
154702
en_US
ethz.size
14 p.
en_US
ethz.version.deposit
publishedVersion
en_US
ethz.grant
Hidden, entangled and resonating orders/HERO
en_US
ethz.grant
Properties across dimensions: an atomistic computational study of bismuth ferrite surfaces and nanocrystals
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Woodbury, NY
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02160 - Dep. Materialwissenschaft / Dep. of Materials::03903 - Spaldin, Nicola A. / Spaldin, Nicola A.
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02160 - Dep. Materialwissenschaft / Dep. of Materials::03903 - Spaldin, Nicola A. / Spaldin, Nicola A.
ethz.grant.agreementno
810451
ethz.grant.agreementno
744027
ethz.grant.fundername
EC
ethz.grant.fundername
EC
ethz.grant.funderDoi
10.13039/501100000780
ethz.grant.funderDoi
10.13039/501100000780
ethz.grant.program
H2020
ethz.grant.program
H2020
ethz.date.deposited
2021-04-24T03:11:11Z
ethz.source
SCOPUS
ethz.eth
yes
en_US
ethz.availability
Open access
en_US
ethz.rosetta.installDate
2021-04-27T09:24:19Z
ethz.rosetta.lastUpdated
2022-03-29T10:55:11Z
ethz.rosetta.versionExported
true
ethz.COinS
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