Structural, electronic and magnetic properties of Ca, Sr and Ba heterovalent A-site ion substitution in BiFeO3 with different Fe oxidation states

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Abstract

A comparative study of structural, electronic and magnetic Ca2+, Sr2+ and Ba2+ A-site ion substitution of BiFeO3 with different Fe oxidation states was carried out. Calculation shows doped compounds favours energy stability in Fe oxidation states of 2+ and 4+ compared to 3+ charge. Electronic band gap makes significant changes with value of 1.32 eV, 1.36 eV and 1.31 eV for Ca, Sr and Ba doped respectively, compared to pure BiFeO3 of 1.41 eV. The net magnetization shows improvement with use of the dopant elements compared to pure BiFeO3. These changes indicate the role of the heterovalent dopant in BiFeO3.

References (33)

  • M.K. Yaakob et al.

    Ceram. Int.

    (2015)
  • X. Zhang et al.

    J. Alloys Compd.

    (2010)
  • M.H. Ridzwan et al.

    Mater. Res. Express.

    (2017)
  • G. Catalan et al.

    Adv. Mater.

    (2009)
  • A. Zhukov et al.

    Advanced magnetic materials

    InTech

    (2012)
  • N.A. Spaldin et al.

    Phys. Today.

    (2010)
  • W. Ji et al.

    Adv. Mater.

    (2010)
  • M. Bibes

    Nature.

    (2008)
  • M. Bibes et al.

    Adv. Phys.

    (2011)
  • R. Guo et al.

    Nat. Commun.

    (2013)
  • A.Q. Jiang et al.

    Adv. Mater.

    (2011)
  • R. Ramesh

    Nat. Mater.

    (2010)
  • A. Roy et al.

    Adv. Condens. Matter Phys.

    (2012)
  • D. Khomskii, Physics (College. Park. Md). 2 (2009)...
  • J. Wang et al.

    Science.

    (2003)
  • D.C. Arnold

    Ieee Trans. Ultrason. Ferroelectr. Freq. Control.

    (2015)
  • Cited by (0)

    View full text