Correlation between the local lattice structure and electronic properties in LiFePO4

Abstract

Olivine LiFePO4 (LFP) offers a safe operation based on the fundamental electronic structure of Fe-3d and O-2p states. To understand the bonding character behavior, we have carried out the X-ray absorption spectroscopy (XAS) measurement and recorded the Oxygen K-edge spectra. We observed strong hybridization between Fe 3d and O 2p states in LFP from XAS oxygen K-edge spectra, which leads to a distortion in the local structure (i.e. FeO6). The excess charge carrier and the self-induced local lattice distortion affect the electronic structure and consequently the kinetic and thermodynamic properties. From the oxygen K-edge XAS spectra we have observed a variation in the hybridization between Fe 3d and O 2p states which affects the polaronic conductivity.