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Physical Review B
In x Ga 1−x ) 2 O 3 alloys show promise as transparent conducting oxides. Using hybrid density functional calculations, band gaps, formation enthalpies, and structural parameters are determined for monoclinic and bixbyite crystal structures. In the monoclinic phase the band gap exhibits a linear dependence on alloy concentration, whereas in the bixbyite phase a large band-gap bowing occurs. The calculated formation enthalpies show that the monoclinic structure is favorable for In compositionsdoi:10.1103/physrevb.92.085206 fatcat:ocvpip2dezhqhpj6n4ht6qlgxi