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Article: Oxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo study

TitleOxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo study
Authors
Issue Date2012
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp
Citation
Journal Of Applied Physics, 2012, v. 112 n. 7, article no. 073512 How to Cite?
AbstractWe report a kinetic Monte Carlo (kMC) investigation of an atomistic model for 3-dimensional structural configurations of TiO 2 memristor, focusing on the oxygen vacancy migration and interaction under an external voltage bias. kMC allows the access of experimental time scales so that the formation of well defined vacancy filaments in thin TiO 2 films can be simulated. The results show that the electric field drives vacancy migration; and vacancy hopping-induced localized electric field plays a key role for the filament evolution. Using the kMC structure of the filaments at different stages of the formation process, electronic density of states (DOS) are calculated by density functional theory. Filament induced gap states are found which gives rise to a transition from insulating behavior to conducting behavior during the filament formation process. By varying kMC simulations parameters, relations between vacancy diffusion, filament formation, and DOS in the TiO 2 thin film are elucidated. © 2012 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/175228
ISSN
2015 Impact Factor: 2.101
2015 SCImago Journal Rankings: 0.603
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorLi, Den_US
dc.contributor.authorLi, Men_US
dc.contributor.authorZahid, Fen_US
dc.contributor.authorWang, Jen_US
dc.contributor.authorGuo, Hen_US
dc.date.accessioned2012-11-26T08:55:01Z-
dc.date.available2012-11-26T08:55:01Z-
dc.date.issued2012en_US
dc.identifier.citationJournal Of Applied Physics, 2012, v. 112 n. 7, article no. 073512en_US
dc.identifier.issn0021-8979en_US
dc.identifier.urihttp://hdl.handle.net/10722/175228-
dc.description.abstractWe report a kinetic Monte Carlo (kMC) investigation of an atomistic model for 3-dimensional structural configurations of TiO 2 memristor, focusing on the oxygen vacancy migration and interaction under an external voltage bias. kMC allows the access of experimental time scales so that the formation of well defined vacancy filaments in thin TiO 2 films can be simulated. The results show that the electric field drives vacancy migration; and vacancy hopping-induced localized electric field plays a key role for the filament evolution. Using the kMC structure of the filaments at different stages of the formation process, electronic density of states (DOS) are calculated by density functional theory. Filament induced gap states are found which gives rise to a transition from insulating behavior to conducting behavior during the filament formation process. By varying kMC simulations parameters, relations between vacancy diffusion, filament formation, and DOS in the TiO 2 thin film are elucidated. © 2012 American Institute of Physics.en_US
dc.languageengen_US
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jspen_US
dc.relation.ispartofJournal of Applied Physicsen_US
dc.rightsJournal of Applied Physics. Copyright © American Institute of Physics.-
dc.rightsCopyright (2012) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in (Journal of Applied Physics, 2012, v. 112, n. 7, article no. 073512) and may be found at (http://jap.aip.org/resource/1/japiau/v112/i7/p073512_s1).-
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.titleOxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo studyen_US
dc.typeArticleen_US
dc.identifier.emailZahid, F: fzahid@hku.hken_US
dc.identifier.authorityZahid, F=rp01472en_US
dc.description.naturepublished_or_final_versionen_US
dc.identifier.doi10.1063/1.4757584en_US
dc.identifier.scopuseid_2-s2.0-84867550785en_US
dc.identifier.hkuros213438-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-84867550785&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume112en_US
dc.identifier.issue7en_US
dc.identifier.isiWOS:000310489400034-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridLi, D=55199700700en_US
dc.identifier.scopusauthoridLi, M=24341135700en_US
dc.identifier.scopusauthoridZahid, F=8568996000en_US
dc.identifier.scopusauthoridWang, J=55223107000en_US
dc.identifier.scopusauthoridGuo, H=55280016000en_US

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