Electronic and local structures of Mn-doped BiFeO3 crystals

The electronic structure of complex oxides is important for understanding their functional properties. Here, we report the results of investigating multiferroic BiFeO3 using various x-ray spectroscopy techniques. Zn- and Mn-codoped and Mn-doped BiFeO3 samples were prepared with the aim of improving ferroelectric properties of BiFeO3. The valences of the doped Mn and host Fe were investigated. When oxygen vacancies exist in the sample, Mn acts as a hole acceptor. Furthermore, Mn and Fe stabilize the perovskite unit by changing their ionic radius. As a result, Mn and Fe atoms exhibit various valence states in the BiFeO3 system. Evidence of the electronic structure for Fe 3d-O 2p-Bi 6s hybridization is also presented.