Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO3
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DOI: 10.1021/acs.chemmater.6b04207
Abstract: The effect of defect chemistry on the polar and nonpolar phases of hexagonal InMnO3 is investigated using first-principles density functional calculations. Our motivation is to show how point defects and substitutional atoms can modify the… read more here.
Keywords: inmno3; chemistry; point defects; structure ... See more keywords