Defect thermodynamics and kinetics in thin strained ferroelectric films: the interplay of possible mechanisms

We present a theoretical description of the influence of misfit strain on mobile defects dynamics in thin strained ferroelectric films. Self-consistent solutions obtained by coupling the Poissons equation for electric potential with continuity equations for mobile donor and electron concentrations and time-dependent Landau-Ginzburg-Devonshire equations reveal that the Vegard mechanism (chemical pressure) leads to the redistribution of both charged and electro-neutral defects in order to decrease the effective stress in the film. Internal electric fields, both built-in and depolarization ones, lead to a strong accumulation of screening space charges (charged defects and electrons) near the film interfaces. Importantly, the corresponding screening length is governed by the misfit strain and Vegard coefficient. Mobile defects dynamics, kinetics of polarization and electric current reversal are defined by the complex interplay between the donor, electron and phonon relaxation times, misfit strain, finite size effect and Vegard stresses.

Anna N. Morozovska, Eugene A. Eliseev, P.S.Sankara Rama Krishnan, Alexander Tselev, Evgheny Strelkov, Albina Borisevich, Olexander V. Varenyk, Nicola V. Morozovsky, Paul Munroe, Sergei V. Kalinin, Valanoor Nagarajan · 2013