Dynamic Local Distortions in Ferroelectrics

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dc.creatorKrakauer, H.
dc.creatorYu, R.
dc.creatorWang, C. -Z.
dc.creatorRabe, K. M.
dc.creatorWaghmare, U. V.
dc.date1997-10-09
dc.date.accessioned2026-07-07T03:09:14Z
dc.date.available2026-07-07T03:09:14Z
dc.descriptionMolecular-dynamics simulations of KNbO$_3$ reveal preformed dynamic chain-like structures, present even in the paraelectric phase, that are related to the softening of phonon branches over large regions of the Brillouin zone. The phase sequence of ferroelectric transitions is correctly reproduced, showing that the first-principles effective Hamiltonian used in the simulations captures the essential behavior of the microscopic fluctuations driving the transitions. Real space chains provide a framework for understanding both the displacive and order-disorder characteristics of these phase transitions.
dc.description4 pages, REVTeX, three eps figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9710088
dc.identifierhttp://arxiv.org/abs/cond-mat/9710088
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/27806
dc.subjectMaterials Science
dc.titleDynamic Local Distortions in Ferroelectrics
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