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Burton, Benjamin P. - Ceramics Division, National Institute of Standards and Technology (NIST)
preprint; submitted to Physical Review Letters in November 2003 Dipole moment of a Pb-O vacancy pair in PbTiO3
Prediction of the [Na1/2Bi1/2]TiO3 Ground State
First principles phase diagram calculations for the wurtzitestructure systems AlN--GaN, GaN--InN, and AlN--InN
Computer Coupling of Phase Diagrams and Thermochemistry 31 (2007) 427 www.elsevier.com/locate/calphad
First Principles Phase Diagram Calculations for the System NaCl-KCl: the role of excess vibrational entropy.
The Effect of Nearest Neighbor [Pb-O] Divacancy Pairs on the Ferroelectric-Relaxor
8 9 10 11 12 13 9 10 11 12 13
First Principles Phase Diagram Calculations for the System NaNbO3-KNbO3: can spinodal decomposition generate relaxor
Correlations between nano-scale chemical-and polar-order in relaxor ferroelectrics and the length scale for polar nano-regions
Activitycomposition relations in the system CaCO3MgCO3 predicted from static structure energy calculations
Origin of the relaxor state in Pb(BxB1-x)O3 perovskites Silvia Tinte, B. P. Burton, and Eric Cockayne
First-Principles Based Simulations of Relaxor Ferroelectrics B.P. Burton,1
CHEMICAL, MAGNETIC AND CHARGE ORDERING IN THE
preprint; to appear in "Fundamental Physics of Ferroelectrics 2003" (AIP Conference Proceedings Series), (2003). First Principles Calculations of Ionic Vibrational
preprint; submitted to Physical Review B in December 2002 The Energetics of Li Off-Centering in K1-xLixTaO3; First Principles Calculations
domain wall excitations e(r) gives forces on (r)
TMS Letters TMS (The Minerals, Metals & Materials Society), 2004 Large Scale Simulations of Ferroelectricity in PbSc1/2Nb1/2O3