First-Principles Studies of Local Order in Relaxor Ferroelectrics

Details First-Principles Studies of Local Order in Relaxor Ferroelectrics First-Principles Studies of Local Order in Relaxor Ferroelectrics

1998-04-22

arxiv.org/abs/cond-mat/9804246v1

Physics

Condensed Matter

Materials Science

9 pages, LaTeX (aipproc), three eps figures

Scientific paper

10.1063/1.56291

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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