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Understanding the p Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

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Figure

Table 1Structural data and nearest-neighbour interatomic distances for
Fig. 3Calculated optical absorption spectra of CuCrOall possible direct valence to conduction band transitions
Fig. 5PBE (red), PBE + U (blue) and HSE06 (red) calculated formationCu-poor/Cr-poor conditions
Fig. 6. Upon examination of the spin density for the PBE VCu, it

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