Control of polarization hysteresis temperature behavior by interfacial screening in thin ferroelectric films

Abstract: Ferroelectric interfaces are unique model objects for fundamental studies of polar surface properties such as versatile screening mechanisms of spontaneous polarization by free carriers and possible ion exchange with ambient media. The effect of ionic adsorption by electrically-open (i.e. non-electroded) ferroelectric surface on polarization reversal in the ferroelectric had been investigated experimentally and theoretically, however the effect influence on the temperature behaviour of polarization hysteresis remains unexplored. Also the comparative theoretical analysis of the ferroelectric hysteresis for linear and nonlinear electronic screenings, and strongly nonlinear ionic screening of the spontaneous polarization was absent. In this work we study the free energy relief of a thin ferroelectric film covered by a screening charge layer of different nature and ultra-thin gap separating the film surface from the top electrode and calculate hysteresis loops of polarization and screening charge at different temperatures in the considered system. The dependence of the screening charge density on electric potential was considered for three basic models, namely for the linear Bardeen-type model of electronic surface states (BS), nonlinear Fermi-Dirac (FD) density of states describing two-dimensional electron gas at the film-gap interface, and strongly nonlinear Stephenson-Highland (SH) model describing the surface charge density of absorbed ions by Langmuir adsorption isotherms. Appeared that BS, FD and SH screening charges, which properties are principally different, determine the free energy relief (including polarization values corresponding to the free energy minima at different applied voltages) and control the shape of polarization hysteresis loops at different temperatures.