Structure and magnetic properties of the Al1−xGaxFeO3 family of oxides: A combined experimental and theoretical study

Magnetic properties of the Al1−xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Mössbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes.

We have studied both experimentally and theoretically the important role of disorder at the cation site on magnetic and related properties of the Al1−xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group.Figure optionsDownload as PowerPoint slideResearch highlights
► Interesting observations on cation site disorder, cell parameters and ionic size.
► Cation site disorder explains magnetic ordering.
► Demonstrates the importance of the A-site cations.