First-Principles Studies of Local Order in Relaxor Ferroelectrics
classification
❄️ cond-mat.mtrl-sci
keywords
energeticsferroelectricsfirst-principleslocalorderrelaxorbasiccalculations
read the original abstract
A key to optimizing the growth of the new single-crystal relaxor ferroelectrics is resolving basic questions concerning their structural properties and energetics. We report on initial first-principles total energy and force calculations, examining the energetics of local order in PZN type relaxors.
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