Electron density distribution influencing the electrical and magnetic properties of polycrystalline Bi0.9Sm0.1FeO3 ceramics

Abstract

Abstract This article reports the structural properties that influence the electrical and magnetic behaviours of polycrystalline Bi1−x Sm x FeO3 (x = 0, 0.1) ceramics. The samples are synthesized by a two-step solid state reaction. X-ray diffraction patterns expose two characteristic peaks corresponding to (104) and (110) planes around 31°. Bi1−x Sm x FeO3 (x = 0, 0.1) samples crystalize primarily in the R3c phase along with the traces of secondary phases. The Rietveld refinement analysis reveals that the tilt angle of Bi0.9Sm0.1FeO3 reduces due to the twisting of FeO6 octahedra compared to pristine BiFeO3. The electron density distribution and type of bonding are analyzed using the maximum entropy method. The microstructural analysis reveals that the Bi0.9Sm0.1FeO3 sample has a reduced average particle size compared to pristine BiFeO3. The influence of samarium ions in the bismuth site deviates the canting angle of the modulated spiral spin arrangement and the charge density distribution of the Bi0.9Sm0.1FeO3 sample as a result, the electrical and magnetic behaviours are improved compared with bare BiFeO3.