Properties of stress-induced super tetragonal phase in epitaxial BiFeO3 thin film

Stress-induced structural phase transitions in multiferroic BiFeO3 thin films have attracted much attention for both fundamental research and promising applications in electronic devices. In this work, with the assistance of spherical aberration-corrected transmission electron microscopy, a tetragonal phase with the super large tetragonality (c/a ∼ 1.53) was found in the epitaxial BiFeO3 thin film on a LaAlO3/Si substrate. Analyses of atom positions showed that displacements of an Fe atom in this super tetragonal phase are much smaller than that in a regular tetragonal phase. First-principles calculations revealed that the structural phase transition occurs with the increasing lattice tetragonality c/a, accompanied by transitions in the atomic coordination and magnetic order.