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- W2022348208 abstract "Ternary oxides formed from zinc and indium have demonstrated potential for commercial optoelectronic applications. We present state-of-the-art hybrid density functional theory calculations for Zn-poor and Zn-rich compositions of the crystalline ${text{In}}_{2}{text{O}}_{3}{(text{ZnO})}_{n}$ compounds. We reveal the origin of the redshift in optical transitions compared to the two component oxides: symmetry forbidden band-edge transitions in ${text{In}}_{2}{text{O}}_{3}$ are overcome on formation of the superlattices, with Zn-O contributions to the top of the valence band. Increasing $n$ results in the localization of the conduction-band minimum on the In-O networks. This enhanced localization explains why Zn-poor compounds (lower $n$) exhibit optimal conductivity." @default.
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- W2022348208 title "Origin of electronic and optical trends in ternary<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>In</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mtext>ZnO</mml:mtext></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mi>n</mml:mi></mml:msub></mml:mrow></mml:math>transparent conducting oxides<…" @default.
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- W2022348208 doi "https://doi.org/10.1103/physrevb.79.073105" @default.
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