Ferroelectricity in oxyfluoride Aurivillius phase Bi${}_2$TiO${}_4$F${}_2$ from first-principles

Sarah Benomar, Hania Djani

Using first-principle calculations, we restrained the m=1 oxyfluoride Aurivillius Bi${}_2$TiO4F${}_2$ to adopt three ordered key configurations, such as tetragonal $I4/mmm$ phases with…