Atomic-level simulation of ferroelectricity in oxide materials

Recent work on using atomic-level simulation methods to study the ferroelectric properties of oxide materials is reviewed. In particular, it is illustrated how such methods can provide insights into the physical properties of a wide range of ferroelectric oxide materials inaccessible by other means. Approaches for further improvements in materials fidelity and increased range of applicability are discussed. (c) 2006 Elsevier Ltd. All rights reserved.