Atomistic simulation of cation ordering and radiation damage in Sr1-3x/2LaxTiO3 defect perovskites
Australian Institute of Physics
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
Charged particles, Ions, Minerals, Oxygen compounds, Simulation, Strontium compounds, Titanates, Titanium compounds, Transition element compounds, Perovskites
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.