  The electronic structure of SrBi2Ta2O9 is investigated from first-principles,
within the local density approximation, using the full-potential linearized
augmented plane wave (LAPW) method. The results show that, besides the large
Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric
perovskites, there is an important hybridization between bismuth and oxygen
states. The underlying static potential for the ferroelectric distortion and
the primary source for ferroelectricity is investigated by a lattice-dynamics
study using the Frozen Phonon approach.
