Thin Solid Films, Vol.374, No.1, 64-69, 2000
Calculations of the atomic structure of the KNbO3 (110) surface
The O-terminated KNbO3 (110) surface is modeled using a semi-empirical shell model and two different short-range interatomic potentials. We find this surface to be unstable with respect to a strong reconstruction and K-termination. This conclusion is confirmed by preliminary calculations using the ab initio linear combination of atomic orbitals (LCAO) formalism.