First-Principles Studies of Local Order in Relaxor Ferroelectrics
  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. 
Mark Wensell and Henry Krakauer (College of William and Mary)