Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates
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DOI: 10.1016/j.ceramint.2021.02.058
Abstract: Abstract In this work, the composition-dependent point defect types and formation energies of RE2Hf2O7 (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles… read more here.
Keywords: investigation intrinsic; intrinsic point; pyrochlore hafnates; theoretical investigation ... See more keywords