Matches in SemOpenAlex for { <https://semopenalex.org/work/W4309593054> ?p ?o ?g. }
- W4309593054 abstract "The formation and migration of charged oxygen vacancies at a ${90}^{ensuremath{circ}}(100)[001]$ domain wall in orthorhombic ${mathrm{CaTiO}}_{3}$ were studied by means of atomistic simulation techniques. The segregation-energy profiles of an oxygen vacancy across the wall were revealed through careful discrimination to display hyperbolic secant forms, with a domain-wall width consistent with that obtained from a tilt-angle analysis. Equilibrium distributions of oxygen vacancies across the ferroelastic domain wall in a nominally undoped (weakly acceptor-doped) sample were calculated self-consistently (assuming a sech segregation-energy profile) for various temperatures. The calculations indicate a positively charged domain wall, arising from high vacancy concentrations, compensated by negative space-charge layers, in which vacancies are depleted. The activation barriers for oxygen-vacancy migration along the domain wall, determined from nudged-elastic-band calculations, revealed that the long-range diffusion of oxygen vacancies along the wall is neither strongly enhanced nor strongly hindered." @default.
- W4309593054 created "2022-11-28" @default.
- W4309593054 creator A5000093745 @default.
- W4309593054 creator A5002309150 @default.
- W4309593054 date "2022-11-22" @default.
- W4309593054 modified "2023-10-12" @default.
- W4309593054 title "Oxygen transport at a ferroelastic domain wall in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>CaTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>" @default.
- W4309593054 cites W1553065212 @default.
- W4309593054 cites W1947025758 @default.
- W4309593054 cites W1966044112 @default.
- W4309593054 cites W1970849254 @default.
- W4309593054 cites W1978721266 @default.
- W4309593054 cites W1983224077 @default.
- W4309593054 cites W1991751125 @default.
- W4309593054 cites W1992411185 @default.
- W4309593054 cites W1992575832 @default.
- W4309593054 cites W1993317923 @default.
- W4309593054 cites W1999200668 @default.
- W4309593054 cites W2000165637 @default.
- W4309593054 cites W2000421901 @default.
- W4309593054 cites W2000539362 @default.
- W4309593054 cites W2001745947 @default.
- W4309593054 cites W2014898452 @default.
- W4309593054 cites W2019465613 @default.
- W4309593054 cites W2020682222 @default.
- W4309593054 cites W2022193985 @default.
- W4309593054 cites W2023967289 @default.
- W4309593054 cites W2026710827 @default.
- W4309593054 cites W2031158836 @default.
- W4309593054 cites W2031175179 @default.
- W4309593054 cites W2034554775 @default.
- W4309593054 cites W2035219983 @default.
- W4309593054 cites W2038910358 @default.
- W4309593054 cites W2040441590 @default.
- W4309593054 cites W2052463589 @default.
- W4309593054 cites W2058214690 @default.
- W4309593054 cites W2085207042 @default.
- W4309593054 cites W2093310605 @default.
- W4309593054 cites W2106032031 @default.
- W4309593054 cites W2115859844 @default.
- W4309593054 cites W2115864365 @default.
- W4309593054 cites W2120894014 @default.
- W4309593054 cites W2122232360 @default.
- W4309593054 cites W2122399501 @default.
- W4309593054 cites W2167543352 @default.
- W4309593054 cites W2315026918 @default.
- W4309593054 cites W2326245644 @default.
- W4309593054 cites W2331348555 @default.
- W4309593054 cites W2344921164 @default.
- W4309593054 cites W2508549730 @default.
- W4309593054 cites W2518297499 @default.
- W4309593054 cites W2789350086 @default.
- W4309593054 cites W2956179991 @default.
- W4309593054 cites W2982655385 @default.
- W4309593054 cites W3024715900 @default.
- W4309593054 cites W3126938678 @default.
- W4309593054 cites W3204211916 @default.
- W4309593054 cites W3205449215 @default.
- W4309593054 cites W4213166467 @default.
- W4309593054 cites W4239064339 @default.
- W4309593054 doi "https://doi.org/10.1103/physrevmaterials.6.l111401" @default.
- W4309593054 hasPublicationYear "2022" @default.
- W4309593054 type Work @default.
- W4309593054 citedByCount "1" @default.
- W4309593054 countsByYear W43095930542023 @default.
- W4309593054 crossrefType "journal-article" @default.
- W4309593054 hasAuthorship W4309593054A5000093745 @default.
- W4309593054 hasAuthorship W4309593054A5002309150 @default.
- W4309593054 hasConcept C113196181 @default.
- W4309593054 hasConcept C114221277 @default.
- W4309593054 hasConcept C115260700 @default.
- W4309593054 hasConcept C115624301 @default.
- W4309593054 hasConcept C121332964 @default.
- W4309593054 hasConcept C134306372 @default.
- W4309593054 hasConcept C181686392 @default.
- W4309593054 hasConcept C185592680 @default.
- W4309593054 hasConcept C192562407 @default.
- W4309593054 hasConcept C26873012 @default.
- W4309593054 hasConcept C2779892579 @default.
- W4309593054 hasConcept C32546565 @default.
- W4309593054 hasConcept C33923547 @default.
- W4309593054 hasConcept C36503486 @default.
- W4309593054 hasConcept C37243968 @default.
- W4309593054 hasConcept C43617362 @default.
- W4309593054 hasConcept C49040817 @default.
- W4309593054 hasConcept C540031477 @default.
- W4309593054 hasConcept C57863236 @default.
- W4309593054 hasConcept C62520636 @default.
- W4309593054 hasConcept C69357855 @default.
- W4309593054 hasConcept C8010536 @default.
- W4309593054 hasConcept C97355855 @default.
- W4309593054 hasConceptScore W4309593054C113196181 @default.
- W4309593054 hasConceptScore W4309593054C114221277 @default.
- W4309593054 hasConceptScore W4309593054C115260700 @default.
- W4309593054 hasConceptScore W4309593054C115624301 @default.
- W4309593054 hasConceptScore W4309593054C121332964 @default.
- W4309593054 hasConceptScore W4309593054C134306372 @default.
- W4309593054 hasConceptScore W4309593054C181686392 @default.
- W4309593054 hasConceptScore W4309593054C185592680 @default.
- W4309593054 hasConceptScore W4309593054C192562407 @default.