FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2313532919> ?p ?o ?g. }

• W2313532919 endingPage "19947" @default.
• W2313532919 startingPage "19940" @default.
• W2313532919 abstract "The formation energies of cation antisite defects (YAl and AlY), oxygen vacancies (VO), and nearest-neighbor defect complexes (YAl–AlY and YAl–VO) in various charge states in the YAlO3 crystal are calculated using density functional theory (DFT) with a modified PBE0 hybrid functional containing 32% Hartree–Fock (HF) exchange. It is found that the formation of YAl is more energetically favorable than AlY under oxygen-poor condition, consistent with the fact that the latter was not observed in experiments. On the basis of calculated optical transition energies associated with the excitons trapped at YAl, VO, and YAl–VO, the two emission bands observed under excitonic excitation at low temperature are identified. Electronic properties of YAl–VO complexes in the neutral and singly negative charge states are finally investigated. It shows that the extra electron added into the negative charge state is mainly localized at 4d orbitals of YAl with a two-component feature of its density distribution extending axially along the YAl–VO direction." @default.
• W2313532919 created "2016-06-24" @default.
• W2313532919 creator A5005475361 @default.
• W2313532919 creator A5060219252 @default.
• W2313532919 creator A5069839700 @default.
• W2313532919 creator A5078472191 @default.
• W2313532919 creator A5091678809 @default.
• W2313532919 date "2014-08-19" @default.
• W2313532919 modified "2023-10-13" @default.
• W2313532919 title "Energetic, Optical, and Electronic Properties of Intrinsic Electron-Trapping Defects in YAlO₃: A Hybrid DFT Study" @default.
• W2313532919 cites W1672392490 @default.
• W2313532919 cites W1963934009 @default.
• W2313532919 cites W1965704728 @default.
• W2313532919 cites W1967053040 @default.
• W2313532919 cites W1970127494 @default.
• W2313532919 cites W1971342582 @default.
• W2313532919 cites W1974487802 @default.
• W2313532919 cites W1979544533 @default.
• W2313532919 cites W1981368803 @default.
• W2313532919 cites W1990393409 @default.
• W2313532919 cites W1994880295 @default.
• W2313532919 cites W2002459210 @default.
• W2313532919 cites W2007822075 @default.
• W2313532919 cites W2011429852 @default.
• W2313532919 cites W2012973764 @default.
• W2313532919 cites W2022693971 @default.
• W2313532919 cites W2023390323 @default.
• W2313532919 cites W2025393924 @default.
• W2313532919 cites W2039440552 @default.
• W2313532919 cites W2040095769 @default.
• W2313532919 cites W2040892666 @default.
• W2313532919 cites W2054704030 @default.
• W2313532919 cites W2058431396 @default.
• W2313532919 cites W2062830106 @default.
• W2313532919 cites W2064256767 @default.
• W2313532919 cites W2071338811 @default.
• W2313532919 cites W2076270768 @default.
• W2313532919 cites W2078773407 @default.
• W2313532919 cites W2083222334 @default.
• W2313532919 cites W2085093563 @default.
• W2313532919 cites W2144077196 @default.
• W2313532919 cites W2149001258 @default.
• W2313532919 cites W2149269340 @default.
• W2313532919 cites W2150306049 @default.
• W2313532919 cites W2167590372 @default.
• W2313532919 cites W2314372799 @default.
• W2313532919 cites W2335718813 @default.
• W2313532919 cites W2944468156 @default.
• W2313532919 cites W4232994806 @default.
• W2313532919 doi "https://doi.org/10.1021/jp5050404" @default.
• W2313532919 hasPublicationYear "2014" @default.
• W2313532919 type Work @default.
• W2313532919 sameAs 2313532919 @default.
• W2313532919 citedByCount "33" @default.
• W2313532919 countsByYear W23135329192015 @default.
• W2313532919 countsByYear W23135329192016 @default.
• W2313532919 countsByYear W23135329192017 @default.
• W2313532919 countsByYear W23135329192018 @default.
• W2313532919 countsByYear W23135329192019 @default.
• W2313532919 countsByYear W23135329192020 @default.
• W2313532919 countsByYear W23135329192021 @default.
• W2313532919 countsByYear W23135329192022 @default.
• W2313532919 crossrefType "journal-article" @default.
• W2313532919 hasAuthorship W2313532919A5005475361 @default.
• W2313532919 hasAuthorship W2313532919A5060219252 @default.
• W2313532919 hasAuthorship W2313532919A5069839700 @default.
• W2313532919 hasAuthorship W2313532919A5078472191 @default.
• W2313532919 hasAuthorship W2313532919A5091678809 @default.
• W2313532919 hasConcept C121332964 @default.
• W2313532919 hasConcept C147120987 @default.
• W2313532919 hasConcept C147597530 @default.
• W2313532919 hasConcept C150708132 @default.
• W2313532919 hasConcept C152365726 @default.
• W2313532919 hasConcept C17729963 @default.
• W2313532919 hasConcept C184779094 @default.
• W2313532919 hasConcept C185592680 @default.
• W2313532919 hasConcept C189394030 @default.
• W2313532919 hasConcept C192562407 @default.
• W2313532919 hasConcept C22693506 @default.
• W2313532919 hasConcept C26873012 @default.
• W2313532919 hasConcept C41999313 @default.
• W2313532919 hasConcept C62520636 @default.
• W2313532919 hasConcept C83581075 @default.
• W2313532919 hasConceptScore W2313532919C121332964 @default.
• W2313532919 hasConceptScore W2313532919C147120987 @default.
• W2313532919 hasConceptScore W2313532919C147597530 @default.
• W2313532919 hasConceptScore W2313532919C150708132 @default.
• W2313532919 hasConceptScore W2313532919C152365726 @default.
• W2313532919 hasConceptScore W2313532919C17729963 @default.
• W2313532919 hasConceptScore W2313532919C184779094 @default.
• W2313532919 hasConceptScore W2313532919C185592680 @default.
• W2313532919 hasConceptScore W2313532919C189394030 @default.
• W2313532919 hasConceptScore W2313532919C192562407 @default.
• W2313532919 hasConceptScore W2313532919C22693506 @default.
• W2313532919 hasConceptScore W2313532919C26873012 @default.
• W2313532919 hasConceptScore W2313532919C41999313 @default.
• W2313532919 hasConceptScore W2313532919C62520636 @default.
• W2313532919 hasConceptScore W2313532919C83581075 @default.

• next