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Article: Oxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo study
Title | Oxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo study |
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Authors | |
Issue Date | 2012 |
Publisher | American 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? |
Abstract | We 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 Identifier | http://hdl.handle.net/10722/175228 |
ISSN | 2023 Impact Factor: 2.7 2023 SCImago Journal Rankings: 0.649 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Li, D | en_US |
dc.contributor.author | Li, M | en_US |
dc.contributor.author | Zahid, F | en_US |
dc.contributor.author | Wang, J | en_US |
dc.contributor.author | Guo, H | en_US |
dc.date.accessioned | 2012-11-26T08:55:01Z | - |
dc.date.available | 2012-11-26T08:55:01Z | - |
dc.date.issued | 2012 | en_US |
dc.identifier.citation | Journal of Applied Physics, 2012, v. 112 n. 7, article no. 073512 | - |
dc.identifier.issn | 0021-8979 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/175228 | - |
dc.description.abstract | We 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.language | eng | en_US |
dc.publisher | American Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp | en_US |
dc.relation.ispartof | Journal of Applied Physics | en_US |
dc.rights | Copyright 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 https://doi.org/10.1063/1.4757584 | - |
dc.title | Oxygen vacancy filament formation in TiO 2: A kinetic Monte Carlo study | en_US |
dc.type | Article | en_US |
dc.identifier.email | Zahid, F: fzahid@hku.hk | en_US |
dc.identifier.authority | Zahid, F=rp01472 | en_US |
dc.description.nature | published_or_final_version | en_US |
dc.identifier.doi | 10.1063/1.4757584 | en_US |
dc.identifier.scopus | eid_2-s2.0-84867550785 | en_US |
dc.identifier.hkuros | 213438 | - |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-84867550785&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 112 | en_US |
dc.identifier.issue | 7 | en_US |
dc.identifier.spage | article no. 073512 | - |
dc.identifier.epage | article no. 073512 | - |
dc.identifier.isi | WOS:000310489400034 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Li, D=55199700700 | en_US |
dc.identifier.scopusauthorid | Li, M=24341135700 | en_US |
dc.identifier.scopusauthorid | Zahid, F=8568996000 | en_US |
dc.identifier.scopusauthorid | Wang, J=55223107000 | en_US |
dc.identifier.scopusauthorid | Guo, H=55280016000 | en_US |
dc.identifier.issnl | 0021-8979 | - |