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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Veröffentlicht in:	Journal of materials science 2005-06, Vol.40 (12), p.3213-3217
Hauptverfasser:	PHILLPOT, S. R, SEPLIARSKY, M, STACHIOTTI, M. G, MIGONI, R. L, STREIFFER, S. K
Format:	Artikel
Sprache:	eng
Schlagworte:	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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Zusammenfassung:	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