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Article: Molecular-dynamics investigation on polarization retention of barium titanate nanofilm arising from ordered oxygen vacancy

TitleMolecular-dynamics investigation on polarization retention of barium titanate nanofilm arising from ordered oxygen vacancy
Authors
Issue Date2010
PublisherInstitute of Physics Publishing Ltd.. The Journal's web site is located at http://iopscience.iop.org/0295-5075
Citation
Epl, 2010, v. 92 n. 1 How to Cite?
AbstractMolecular-dynamics simulations have been carried out to investigate the electric hysteresis of barium titanate nanofilm containing oxygen vacancy ordering array parallel to the {101} crystal plane. The results obtained show a significant weakening of polarization retention from non-zero value to zero as the size of the array was reduced to a critical level, which was attributed to the formation and motion of head-to-head domain wall structure under external field loading process. By comparing with materials containing isolated oxygen vacancies, it was found that the zero retention was due to the oxygen vacancy ordering array rather than to the concentration of oxygen vacancy. Copyright © EPLA, 2010.
Persistent Identifierhttp://hdl.handle.net/10722/137357
ISSN
2015 Impact Factor: 1.963
2015 SCImago Journal Rankings: 0.565
ISI Accession Number ID
Funding AgencyGrant Number
Research Grants Council of the Hong Kong Special Administrative Region, ChinaHKU 716007E
NSFC10772012
10732090
10772181
10721202
Chinese Academy of Sciences (CAS)KJCX2-YW-M04
NBRPC2007CB814803
Funding Information:

The authors wish to thank Dr YIHUI ZHANG for helpful discussion. Support from the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. HKU 716007E), the NSFC (grant Nos. 10772012, 10732090, 10772181 and 10721202), the Chinese Academy of Sciences (CAS) Innovation Program (KJCX2-YW-M04) and the NBRPC (2007CB814803) is gratefully acknowledged. Computations were performed on computer clusters at the CNIC Supercomputing Center, the LSEC of the CAS and the HPCPOWER system of computer centre of HKU.

References
Grants

 

DC FieldValueLanguage
dc.contributor.authorWang, Jen_HK
dc.contributor.authorSoh, AKen_HK
dc.contributor.authorXiao, Pen_HK
dc.contributor.authorKe, FJen_HK
dc.date.accessioned2011-08-26T14:23:38Z-
dc.date.available2011-08-26T14:23:38Z-
dc.date.issued2010en_HK
dc.identifier.citationEpl, 2010, v. 92 n. 1en_HK
dc.identifier.issn0295-5075en_HK
dc.identifier.urihttp://hdl.handle.net/10722/137357-
dc.description.abstractMolecular-dynamics simulations have been carried out to investigate the electric hysteresis of barium titanate nanofilm containing oxygen vacancy ordering array parallel to the {101} crystal plane. The results obtained show a significant weakening of polarization retention from non-zero value to zero as the size of the array was reduced to a critical level, which was attributed to the formation and motion of head-to-head domain wall structure under external field loading process. By comparing with materials containing isolated oxygen vacancies, it was found that the zero retention was due to the oxygen vacancy ordering array rather than to the concentration of oxygen vacancy. Copyright © EPLA, 2010.en_HK
dc.languageengen_US
dc.publisherInstitute of Physics Publishing Ltd.. The Journal's web site is located at http://iopscience.iop.org/0295-5075 en_HK
dc.relation.ispartofEPLen_HK
dc.rightsEurophysics Letters. Copyright © Institute of Physics Publishing Ltd..-
dc.titleMolecular-dynamics investigation on polarization retention of barium titanate nanofilm arising from ordered oxygen vacancyen_HK
dc.typeArticleen_HK
dc.identifier.emailSoh, AK:aksoh@hkucc.hku.hken_HK
dc.identifier.authoritySoh, AK=rp00170en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1209/0295-5075/92/17006en_HK
dc.identifier.scopuseid_2-s2.0-78751642882en_HK
dc.identifier.hkuros191570en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-78751642882&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume92en_HK
dc.identifier.issue1en_HK
dc.identifier.spage17006-p1en_US
dc.identifier.epage17006-p6en_US
dc.identifier.isiWOS:000284469900029-
dc.publisher.placeUnited Kingdomen_HK
dc.relation.projectDevelopment and application of a novel mesoscopic theory for the study of semiconducting ferroelectrics with crystal defects-
dc.identifier.scopusauthoridWang, J=35491992200en_HK
dc.identifier.scopusauthoridSoh, AK=7006795203en_HK
dc.identifier.scopusauthoridXiao, P=35209299900en_HK
dc.identifier.scopusauthoridKe, FJ=7003607020en_HK

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