Temperature dependence of the local electromagnetic field at the Fe site in multiferroic bismuth ferrite

In this paper, we present a study of the temperature-dependent characteristics electromagnetic fields at atomic scale in multiferroic bismuth ferrite (${\mathrm{BiFeO}}_{3}$ or BFO). The was performed using time differential perturbed angular correlation (TDPAC) spectroscopy on implanted $^{111}\mathrm{In}$ ($^{111}\mathrm{Cd}$) probes over wide temperature range. TDPAC spectra show that substitutional ${\mathrm{Fe}}^{3+}$ site experiences local electric polarization, which is otherwise expected to essentially stem from ${\mathrm{Bi}}^{3+}$ lone pair electrons. Moreover, combined and magnetic interactions below N\'eel ${T}_{N}$. This consistent with simulated spectra. X-ray diffraction (XRD) employed investigate how high-temperature measurements influence macroscopic structure secondary phases. With support ab initio DFT simulations, can discuss probe nucleus assignment conclude substitutes Fe atom B perovskite structure.