Calculation of arrangement of oxygen ions and vacancies in double perovskite GdBaCo2O5+δ by first-principles DFT with Monte Carlo simulations

Hiromasa Shiiba, Masanobu Nakayama, Toshihiro Kasuga, Robin W. Grimes, John A. Kilner
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3cp50316j
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