Atomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskites

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dc.contributor.authorThomas, BSen_AU
dc.contributor.authorMarks, NAen_AU
dc.contributor.authorBegg, BDen_AU
dc.contributor.authorCorrales, LRen_AU
dc.contributor.authorDevanathan, RLen_AU
dc.date.accessioned2021-09-17T01:04:46Zen_AU
dc.date.available2021-09-17T01:04:46Zen_AU
dc.date.issued2005-01-31en_AU
dc.date.statistics2021-08-27en_AU
dc.description.abstractSr-1.3x/2LaxTiO3 perovskites are known to contain charge-compensating cation vacancies, which display one-dimensional ordering at high La concentrations. Recently, the radiation resistance of these perovskites has been measured, revealing an anomalously high radiation resistance at around x = 0.2. We use atomistic computer simulation techniques to study short-range cation and vacancy ordering as a function of La concentration and thermal history. Long-range electrostatic effects dominate the interactions, and ordering in one- and two-dimensions is observed. We also give preliminary results on the effects of La concentration and ordering on radiation resistance, including both primary damage creation and defect annealing. © 2005 Australian Institute of Physicsen_AU
dc.identifier.citationThomas, B. S., Marks, N. A., Begg, B. D., Corrales, L. R., & Devanathan, R. (2005). Atomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskites. Paper presented to the 29th Condensed Matter and Materials Meeting, "Australian Institute of Physics Sixteenth Biennial Congress", Canberra, 2005, 31 January - 4 February 2005.en_AU
dc.identifier.conferenceenddate4 February 2005en_AU
dc.identifier.conferencename29th Condensed Matter and Materials Meeting, 'Australian Institute of Physics Sixteenth Biennial Congress'en_AU
dc.identifier.conferenceplaceCanberra, Australiaen_AU
dc.identifier.conferencestartdate31 January 2005en_AU
dc.identifier.isbn0-9598064-8-2en_AU
dc.identifier.otherCMMSP PWE 99en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11714en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Physicsen_AU
dc.subjectCharged particlesen_AU
dc.subjectIonsen_AU
dc.subjectMineralsen_AU
dc.subjectOxygen compoundsen_AU
dc.subjectSimulationen_AU
dc.subjectStrontium compoundsen_AU
dc.subjectTitanatesen_AU
dc.subjectTitanium compoundsen_AU
dc.subjectTransition element compoundsen_AU
dc.subjectPerovskitesen_AU
dc.titleAtomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskitesen_AU
dc.typeConference Abstracten_AU
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