Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation

We use molecular-dynamics simulation to examine the order-disorder behavior in pure ferroelectric KNbO3and in KNbO3-KTaO3 ferroelectric-paraelectric solid solutions and superlattices. We find that the order-disorder behavior is remarkably robust and plays an important role in both the polarization r...

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Bibliographic Details
Published in:Journal of materials science 2005-06, Vol.40 (12), p.3213-3217
Main Authors: PHILLPOT, S. R, SEPLIARSKY, M, STACHIOTTI, M. G, MIGONI, R. L, STREIFFER, S. K
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Crystalline state (including molecular motions in solids)
Crystallographic aspects of phase transformations
pressure effects
Exact sciences and technology
Ferroelectric materials
Ferroelectricity
Low-dimensional structures (superlattices, quantum well structures, multilayers): structure, and nonelectronic properties
Materials science
Molecular dynamics
Order disorder
Physics
Potassium niobates
Solid solutions
Structure of solids and liquids
crystallography
Superlattices
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
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Summary:We use molecular-dynamics simulation to examine the order-disorder behavior in pure ferroelectric KNbO3and in KNbO3-KTaO3 ferroelectric-paraelectric solid solutions and superlattices. We find that the order-disorder behavior is remarkably robust and plays an important role in both the polarization rotation associated with switching of the perfect crystal and in the dynamical behavior of the solid solutions and superlattices.
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-005-2687-z