Please use this identifier to cite or link to this item: https://apo.ansto.gov.au/dspace/handle/10238/11714
Title: Atomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskites
Authors: Thomas, BS
Marks, NA
Begg, BD
Corrales, LR
Devanathan, RL
Keywords: Charged particles
Ions
Minerals
Oxygen compounds
Simulation
Strontium compounds
Titanates
Titanium compounds
Transition element compounds
Perovskites
Issue Date: 31-Jan-2005
Publisher: Australian Institute of Physics
Citation: Thomas, 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. Retrieved from: https://web.archive.org/web/20050615003041/http://aipcongress2005.anu.edu.au/pdf/AIPC_Handbook_V2.pdf
Abstract: Sr-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 Physics
URI: https://web.archive.org/web/20050615003041/http://aipcongress2005.anu.edu.au/pdf/AIPC_Handbook_V2.pdf
https://apo.ansto.gov.au/dspace/handle/10238/11714
ISBN: 0-9598064-8-2
Appears in Collections:Conference Publications

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