Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3

Development of a bond-valence based interatomic potential for BiFeO3for accurate molecular dynamics simulations

(2013) Shi Liu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides

(2013) Jacek C Wojdeł et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric

(2013) Hiroyuki Takenaka et al.   PHYSICAL REVIEW LETTERS

Recent Developments in the Methods and Applications of the Bond Valence Model

(2009) Ian David Brown   CHEMICAL REVIEWS

Pressure induced phase transitions in PbTiO3

(2009) P Ganesh et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular Dynamics Study of Dielectric Response in a Relaxor Ferroelectric

(2009) Ilya Grinberg et al.   PHYSICAL REVIEW LETTERS

Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound

(2008) Yan Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Force Field for the Y-Doped BaZrO3Proton Conductor with Applications to Diffusion Rates for Multigranular Systems

(2008) Adri C. T. van Duin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Shell model potential for PbTiO3and its applicability to surfaces and domain walls

(2008) T Shimada et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Origin of morphotropic phase boundaries in ferroelectrics

(2008) Muhtar Ahart et al.   NATURE

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS