Interfacial phenomena in nanocapacitors with multifunctional oxides.

Abstract

The analysis of the structure, chemical stability, electronic and ferroelectric properties of the interfaces between Pt(001) and PbZrTiO3(001) have been performed with ab initio methods. We show that the chemical environment plays a critical role in determining the interfacial reconstruction and charge redistribution at the metal/oxide interfaces. We demonstrate that the difference in interfacial bonds formed at the Pt/PZT interfaces with (TiZr)O2- and PbO-termination of PZT essentially defines the effectiveness of the screening, and ease of polarisation switching in PZT-based capacitors.