Tetragonal and hexagonal polymorphs of BaTi1−xFexO3−δ multiferroics using x-ray and Raman analyses

Abstract

The effect of Fe doping on the crystalline phase transformation and on the local environment around Fe dopant ions is investigated for BaTi1−xFexO3−δ (0.0 ≤ x ≤ 0.5) polycrystalline samples, using x-ray diffraction, x-ray absorption spectroscopy, and Raman scattering spectroscopy. Our experimental results show that the tetragonal-to-hexagonal transformation is gradually taken place when increasing the Fe content in the range 0.02 ≤ x ≤ 0.12. Although both hexagonal and tetragonal polymorphs coexist in this doping range, Fe ions preferably substitute for Ti sites in the hexagonal lattice and exist in both Fe3+ and Fe4+ forms. Our work is of paramount importance to provide a direct evidence to the preferable substitution of transition metal ions for Ti ions.