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(Color online) The DOS at six selective values of U within GGA +U formalisms.
(Color online) The DOS of cubic CuAl2O4 projected onto the Cu 3d and O 2p orbitals, cubic field splitting for Cu2+ ion in local symmetry with 10.0 eV > U > 7.5 eV and spin moments for Cu, Al, O atoms, and CuAl2O4 from U = 0–12.5 eV.
(Color online) Calculated elastic constants (Cij), bulk modulus (B), shear modulus (G), Young’s modulus (E) and total energy for cubic CuAl2O4 from U = 0–12.5 eV.
(Color online) The real () and imaginary () parts of the dielectric function () and refractive index (n) for cubic CuAl2O4 from U = 0–12.5 eV.
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