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|Title:||Atomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskites|
Transition element compounds
|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|
|Appears in Collections:||Conference Publications|
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