Atomic level simulation of Ferroelectricity in Oxide Materials

M.SEPLIARSKY; A. ASTHAGIRI; S. PHILLPOT; M.G.STACHIOTTI; R.L. MIGONI

Current Opinion in Solid State & Materials Science

Elsevier

Año: 2006 vol. 9 p. 107 - 113

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.