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[ 1 ] - Investigation of Optical Property of Tetragonal BiFeO3

  ing the full potential linearized augmented plan wave in framework density functional theory(DFT) with wien2k code. The band structure and energy gap of the bulk structures are calculated with GGA-PBE, GGA+U and GGA+MBJ approximations, and results obtained from the MBJ function are more consistent with the reported experimental results. The optical properties such as real and imaginary parts...