Menghui Xia, Sukriti Mantri, Laurent Bellaiche, Bin Xu
Antiferroelectric (AFE) materials are rarer than ferroelectrics (FEs). Yet they hold great potential for niche applications, mostly thanks to the electric-field induced reversible transformation between the AFE and FE states. In addition to the extrinsic method of chemical doping, intrinsically converting a FE material into AFE presents significant scientific and technological interest. Here, using a first-principles-based computational scheme, we demonstrate that thin films offer an opportunity to modify the FE ground state of the well-known room-temperature multiferroic BiFeO_{3} into an AFE phase by controlling the film thickness and electrostatic boundary conditions. Such transition results from a surface effect related to the delicate balance between the short-range and long-range dipole-dipole interactions, and the particular structure of the AFE phase. Simulations reveal the criteria for double hysteresis loop formation. The effect of temperature and strain on the stability of the AFE state is further discussed.