Numerical study of charge ordering in NaxCoO2

摘要

A simple microscopic model of charge ordering in the NaxCoO2 system is presented. The model takes into account the interplane interactions between the ordered Na ions and d electrons from the CoO2 layers as well as the nearest-neighbor intraplane Coulomb interactions between d electrons. It is shown that a driving force of charge ordering in the CoO2 layers is the interplane interaction that alone is able to describe various types of inhomogeneous charge ordering (e.g., the striped phases) as well as to predict correctly the conducting properties of the system. (c) 2006 Elsevier Ltd. All rights reserved.