Abstract

The EPR for two types of Fe3+–VO defect in the PbTiO3:Fe3+ system has been investigated systematically by diagonalizing the complete energy matrix and considering the contributions from the spin–orbit coupling of the central ion as well as that of the ligand ions. Our results indicate that the doped ion Fe3+ will go away from oxygen vacancy (VO) and the four planar oxygen ligands move towards VO for B site in the PbTiO3:Fe3+ system and the obtained local lattice distortion parameters are well in accord with the experimental reports. Moreover, the links between the ground-state splitting and ζ, ζ′ are discussed.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.