First-Principles Studies of Local Order in Relaxor Ferroelectrics

Mark Wensell; Henry Krakauer

doi:10.1063/1.56291

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arXiv · cond-mat/9804246

First-Principles Studies of Local Order in Relaxor Ferroelectrics

Mark Wensell·Henry Krakauer

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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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Mark Wensell, Henry Krakauer. 1998-04-22. First-Principles Studies of Local Order in Relaxor Ferroelectrics. https://doi.org/10.1063/1.56291

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