Investigations On The Electronic Structure Of The Strongly Correlated Electron System Cr-Doped Prfeo3

Here, we have demonstrated X-ray absorption spectroscopy, synchrotron X-ray diffraction, and Raman scattering studies on Cr-doped PrFeO3 ceramics and have proposed a possible correlation between the Goldschmidt structural tolerance factor, structural bandwidth, and e(g) electron bandwidth. It has been observed that these parameters scale in a similar fashion with Cr content, which infers the governance of these parameters by a common factor. Soft XAS experiments performed at Fe L-edge and O K-edge suggest the enhancement in overlapping between Fe 3d-O 2p orbitals, which results in an increase in the values of the e(g) electron bandwidth. Furthermore, with the help of strong experimental and theoretical evidence on the same samples, a mechanism in terms of orbital-facilitated charge transfer from Cr3+-O2--Fe3+ has been proposed. The importance of this mechanism lies in the fact that the Raman mode generated around 660 cm(-1) may provide qualitative information about Delta, which is completely a new approach toward the information related to Delta. Thus, with the help of different experimental techniques, a correlation between the Goldschmidt structural tolerance factor, structural bandwidth, and e(g) electron bandwidth has been established.