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Based on the generalized gradient approximation (GGA), the structural, magnetic, electronic and optical properties of BiFe0.75Ti0.125Mn0.125O3 (TM) and Bi1−yLayFe0.75Ti0.125Mn0.125O3 (y=0.125, 0.25) (LTM) were researched by the first principles. Compared with the pure BiFeO3 (zero magnetic moment), the magnetic moment of TM gets improved greatly and the value computed here is ∼3μB, while La doping...
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