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Intensive calculations in the framework of the density functional theory (DFT) scheme have been carried out in order to predict accurately the dynamical stability and electronic properties of the zinc-blend-derived Cu2ZnYX4(X = S, Se, Te, Y = Si, Ge, Sn) compounds. Emphasis is also placed on the optical properties of the defect chalcopyrite compounds. Advantages of the analysis of the topology of...
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