Theoretical studies of absorption spectra and microstructure of Ni²⁺ at the octahedral site of the NiFe₂O₄ nanoparticle

Abstract

The optical absorption spectra, microstructure and electronic spin resonance parameters (electronic spin resonance (ESR) g factor) for Ni²⁺ ions at octahedral centers of nickel ferrite nanoparticles are calculated from the two-spin–orbit-parameter model. The effect of spin–orbital coupling of the central metal 3d⁸ ions and ligand oxygen ions has been taken into account in the full energy matrix and ESR g formula. The calculated results are in good agreement with the observed values. In addition, the microstructures of Ni²⁺ ions at octahedral centers in NiFe₂O₄ are reasonably determined from the calculations.

Keywords:

• optical spectra
• microstructure
• crystal- and ligand-field theory
• two-spin–orbit-parameter model
• NiFe₂O₄

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

Project supported by foundation from the Science and Technology Department of Sichuan, China [Grant No. 2013Jy0077].