Improved dielectric and ferromagnetic properties of Fe-site substituted rhombohedral structured BiFeO3 ceramic

Influence of A‐Site Doping on the Local Structure and Magnetic Behavior of BiFeO3 Nanoparticles Investigated by X‐Ray Absorption Fine Structure Spectroscopy

“…Similar conclusions are also drawn from the Fe K ‐edge k 3 ‐weighted EXAFS spectra (Figure 4d) due to the absence of movement of the three major peaks. Especially the asymmetric Fe–O peak centered near 1.5 Å, which is usually believed to be related to ferromagnetism, [ 47,58 ] has no obvious shift, indicating that 1% La/Nd doping cannot induce structural distortion of oxygen anions around Fe ions. Therefore, the dominant factor for the difference in magnetism between BLFO and BNFO is not from Bi and Fe, after all, the local structure of the two main elements still remains R 3 c symmetry, which is consistent with the XRD results.…”

Theoretical insight of origin of Rashba–Dresselhaus effect in tetragonal and rhombohedral phases of BiFeO3

“…38 Similarly, for the rhombohedral phase of BFO, the obtained equilibrium lattice parameters (a = b = 5.57 Å, c = 13.74 Å) were in good agreement with the experimental reported values. 39,40 During optimization, the lattice parameters and band gap were calculated with higher energies (450 and 500 eV), which produced results that showed consistency with those obtained at 400 eV and led to a high computational cost. A previous GGA+U study carried out by Sui et al on the multiferroic properties of BFO reported underestimated lattice parameters (a = 5.54 Å, c = 13.71 Å) in the rhombohedral BFO with an energy cut-off of 500 eV.…”