Orbital Reconstruction in a Self-assembled Oxygen Vacancy Nanostructure

Sci Rep. 2015 Jul 27:5:12402. doi: 10.1038/srep12402.

Abstract

We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1 nm) in BiFeO3, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca(2+) for Bi(3+) cation. We found that by increasing the substitution, the in-plane orbital bands of Fe(3+) cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO3 system.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.