(Color online) Calculated energy versus cubic lattice parameter for perovskite, B1-like and fluorite-like ( )2O3 structures, the latter two including metal and oxygen site vacancies.
(Color online) Mixing enthalpies of the B1-like structures with ordered vacancies as compared to corundum solid solutions.
(Color online) Calculated electronic density of states for ( )2O3 solid solutions in B1-like structures with disordered and ordered metal vacancies, as well as in the corundum structure. The total DOS, and the average site projected DOS on Al, Cr, and O atoms are shown.
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