Theoretical investigation of the influence of space charges on ferroelectric properties of PbZrTiO3 thin film capacitor

During ion etching (IE) processes used for making a Pt electrode in the fabrication of ferroelectric capacitors, the film is exposed to radiation and energetic ion bombardment. The influence of such processes on polarization-electric field characteristics of lead zirconate titanate thin film capacitor has been reported by E. G. Lee [Appl. Phys. Lett. 69, 1223 (1996)]. A large field shift and a constriction in the hysteresis loop are experimentally observed. For these authors, this behavior is probably due to the existence of space charges trapped near electrodes. For a better understanding of these phenomena, we have developed a model of ferroelectric capacitor based on the phenomenological Landau-Devonshire theory. A two-dimensional lattice of dipoles is assumed to describe the film. By solving Poisson's equation, the electric-field distribution inside the film is calculated, which allows us to locally determine the evolution of the polarization by minimizing free energy. IE effects and probably the existence of space charges in the film are introduced by means of a doping layer in the film near the electrode. The influence of important parameters such as doping level, and thickness of the doped layer on the hysteresis loop are investigated. Main experimental thin film electric behaviors are well reproduced and explained considering dipoles switched inside the lattice. Results are interpreted by splitting the hysteresis loop deformation into two effects with different origins: a constriction effect related to the number of impurities inside the film and a shift effect related to the asymmetrical impurities distribution. (C) 1999 American Institute of Physics. [S0021-8979(99)06814-0].