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.
@article{arxiv.cond-mat/9804246,
title = {First-Principles Studies of Local Order in Relaxor Ferroelectrics},
author = {Mark Wensell and Henry Krakauer},
journal= {arXiv preprint arXiv:cond-mat/9804246},
year = {2009}
}