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AgCuO 2 and Ag 2 Cu 2 O 3 are new types of semiconductor materials. A theoretical study is presented for both the electronic and optical properties of these new photovoltaic materials in the framework of density functional theory (DFT). The calculated cohesive energy is −3.606 eV/atom and −3.723 eV/atom for Ag 2 Cu 2 O 3 and AgCuO 2 ,...
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