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The structural, elastic and electronic properties of CuYO2 have been investigated by the plane wave pseudopotential density functional theory (DFT) within the local density approximation (LDA) and the LDA+U methods. The strong on-site Coulomb repulsion of the localized Cu 3d electrons and Y 4d electrons are amended by LDA+U formalism, showing that the properties of CuYO2 are quite sensitive to the...
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