High-resolution structural studies and covalent bond interactions in BiFeO3-PbTiO3 compounds: The role of ferroism

The origin of enhanced ferroism in La-modified BiFeO3-PbTiO3 compounds is investigated by examining chemical bonding in high-resolution structural measurements. It is shown that structural modifications in the perovskite A-site, such as absent or inactive lone-pair ions, lead to reduced covalence in A-O bonds and increased covalence in B-O bonds for the tetragonal phase. This change in bond character results in a structural accommodation that favors the rhombohedral over the tetragonal phase, which also enhances the ferroic properties. These observations highlight the influence of modifiers on BiFeO3-PbTiO3 bonds and phase stabilization mechanisms.