Nanodynamics of Ferroelectric Ultrathin Films

The nanodynamics of ferroelectric ultrathin films made of PbTi0.6Zr0.4TiO3 alloy is explored via the use of a first-principles-based technique. Our atomistic simulations predict that the nanostriple domains which constitute the ground state of ferroelectric ultrathin films under most electric boundary conditions oscillate under a driving ac field. Furthermore, we find that the atomically thin wall, or nanowall, that separates the nanodomains with different polarization directions behaves as an elastic object and has a mass associated with it. The nanowall mass is size-dependent and gives rise to a unique size-driven transition from resonance to relaxational dynamics in ultrathin films. A general theory of nanodynamics in such films is developed and used to explain all computational findings. In addition, we find an unusual dynamical coupling between nanodomains and mechanical deformations that could potentially be used in ultrasensitive electromechanical nanosensors.