Matches in SemOpenAlex for { <https://semopenalex.org/work/W2129014764> ?p ?o ?g. }
Showing items 1 to 86 of
86
with 100 items per page.
- W2129014764 abstract "The electronic properties of defective rutile TiO2 with oxygen vacancy were studied by ab initio methods to understand resistance switching mechanism for non-volatile memory applications. Density functional theory calculations employing the Hubbard-U on-site correction to the local density approximation (LDA) were performed to determine the structural and electronic modifications introduced by oxygen vacancy formation in bulk TiO2. It has been found that introducing on-site Coulomb interaction between 2p electrons (Up) in addition to on-site Coulomb interaction between 3d electrons (Ud), a corrected description of the band gap state induced by the oxygen vacancy is obtained. The calculated band gap energy within the LDA+Ud+p method is in excellent agreement with the experimental value of 3.0 eV. We find that the oxygen vacancy produces a defect state within the band gap. This state is occupied by two electrons that are highly localized on Ti 3d orbitals of the nearest Ti atoms to the vacancy. The defect state is not a shallow donor, but a deep level at ~0.7 eV below the conduction band edge, indicating that the electron doping at room temperature is not favorable. The atomic relaxation effects are mainly on the Ti and O atoms in the immediate vicinity of the vacancy, however the induced displacements are rather small. The electrons localize on Ti after vacancy creation, and therefore a spatial electronic charge redistribution is observed. This change in electronic density around the vacancy increases the possibility of electron hopping in multi-vacancy systems that align to form a conductive path and ultimately lead to the low resistance state." @default.
- W2129014764 created "2016-06-24" @default.
- W2129014764 creator A5010027427 @default.
- W2129014764 creator A5049582816 @default.
- W2129014764 creator A5085831106 @default.
- W2129014764 date "2008-01-01" @default.
- W2129014764 modified "2023-09-29" @default.
- W2129014764 title "First-principles study of resistance switching in rutile TiO<inf>2</inf> with oxygen vacancy" @default.
- W2129014764 cites W1965482574 @default.
- W2129014764 cites W1970127494 @default.
- W2129014764 cites W1972218523 @default.
- W2129014764 cites W1976414237 @default.
- W2129014764 cites W1986252415 @default.
- W2129014764 cites W2003015355 @default.
- W2129014764 cites W2006323802 @default.
- W2129014764 cites W2016562169 @default.
- W2129014764 cites W2027153082 @default.
- W2129014764 cites W2028461509 @default.
- W2129014764 cites W2036418798 @default.
- W2129014764 cites W2051844407 @default.
- W2129014764 cites W2055409856 @default.
- W2129014764 cites W2060460743 @default.
- W2129014764 cites W2066398552 @default.
- W2129014764 cites W2070856049 @default.
- W2129014764 cites W2076439930 @default.
- W2129014764 cites W2079105963 @default.
- W2129014764 cites W2085673779 @default.
- W2129014764 cites W2087377374 @default.
- W2129014764 cites W2107715677 @default.
- W2129014764 cites W2110036260 @default.
- W2129014764 cites W2139360960 @default.
- W2129014764 cites W3103219697 @default.
- W2129014764 doi "https://doi.org/10.1109/nvmt.2008.4731193" @default.
- W2129014764 hasPublicationYear "2008" @default.
- W2129014764 type Work @default.
- W2129014764 sameAs 2129014764 @default.
- W2129014764 citedByCount "4" @default.
- W2129014764 countsByYear W21290147642012 @default.
- W2129014764 countsByYear W21290147642018 @default.
- W2129014764 crossrefType "proceedings-article" @default.
- W2129014764 hasAuthorship W2129014764A5010027427 @default.
- W2129014764 hasAuthorship W2129014764A5049582816 @default.
- W2129014764 hasAuthorship W2129014764A5085831106 @default.
- W2129014764 hasConcept C114221277 @default.
- W2129014764 hasConcept C127413603 @default.
- W2129014764 hasConcept C178790620 @default.
- W2129014764 hasConcept C185592680 @default.
- W2129014764 hasConcept C18903297 @default.
- W2129014764 hasConcept C192562407 @default.
- W2129014764 hasConcept C2777889555 @default.
- W2129014764 hasConcept C41008148 @default.
- W2129014764 hasConcept C42360764 @default.
- W2129014764 hasConcept C540031477 @default.
- W2129014764 hasConcept C57473165 @default.
- W2129014764 hasConcept C8010536 @default.
- W2129014764 hasConcept C86803240 @default.
- W2129014764 hasConceptScore W2129014764C114221277 @default.
- W2129014764 hasConceptScore W2129014764C127413603 @default.
- W2129014764 hasConceptScore W2129014764C178790620 @default.
- W2129014764 hasConceptScore W2129014764C185592680 @default.
- W2129014764 hasConceptScore W2129014764C18903297 @default.
- W2129014764 hasConceptScore W2129014764C192562407 @default.
- W2129014764 hasConceptScore W2129014764C2777889555 @default.
- W2129014764 hasConceptScore W2129014764C41008148 @default.
- W2129014764 hasConceptScore W2129014764C42360764 @default.
- W2129014764 hasConceptScore W2129014764C540031477 @default.
- W2129014764 hasConceptScore W2129014764C57473165 @default.
- W2129014764 hasConceptScore W2129014764C8010536 @default.
- W2129014764 hasConceptScore W2129014764C86803240 @default.
- W2129014764 hasLocation W21290147641 @default.
- W2129014764 hasOpenAccess W2129014764 @default.
- W2129014764 hasPrimaryLocation W21290147641 @default.
- W2129014764 hasRelatedWork W1967605236 @default.
- W2129014764 hasRelatedWork W1967927080 @default.
- W2129014764 hasRelatedWork W2036820481 @default.
- W2129014764 hasRelatedWork W2092454318 @default.
- W2129014764 hasRelatedWork W2324602023 @default.
- W2129014764 hasRelatedWork W2333720888 @default.
- W2129014764 hasRelatedWork W2748952813 @default.
- W2129014764 hasRelatedWork W2888190264 @default.
- W2129014764 hasRelatedWork W2899084033 @default.
- W2129014764 hasRelatedWork W2913205149 @default.
- W2129014764 isParatext "false" @default.
- W2129014764 isRetracted "false" @default.
- W2129014764 magId "2129014764" @default.
- W2129014764 workType "article" @default.