Coupled displacive and order-disorder dynamics in LiNbO 3 by molecular-dynamics simulation

S. R. Phillpot; V. Gopalan

doi:10.1063/1.1669063

Coupled displacive and order-disorder dynamics in LiNbO ₃ by molecular-dynamics simulation

S. R. Phillpot, V. Gopalan

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Abstract

The phase transition behavior of LiNbO _3xwas investigated. The molecular dynamics simulations were used to study the ferroelectric-paraelectric phase transition of the compound. It was observed that the phase transition of NiNbO ₃ was a two-stage process, which involved a order-disorder transition in the Li-O planes at the Curie temperature and displacive transition in the Nb-O cages at a temperature below Curie temperature. The effect of high-temperature structure on the dynamical response of the transition was also discussed.

Original language	English (US)
Pages (from-to)	1916-1918
Number of pages	3
Journal	Applied Physics Letters
Volume	84
Issue number	11
DOIs	https://doi.org/10.1063/1.1669063
State	Published - Mar 15 2004

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.1669063

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abstract = "The phase transition behavior of LiNbO 3xwas investigated. The molecular dynamics simulations were used to study the ferroelectric-paraelectric phase transition of the compound. It was observed that the phase transition of NiNbO 3 was a two-stage process, which involved a order-disorder transition in the Li-O planes at the Curie temperature and displacive transition in the Nb-O cages at a temperature below Curie temperature. The effect of high-temperature structure on the dynamical response of the transition was also discussed.",

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AU - Phillpot, S. R.

AU - Gopalan, V.

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N2 - The phase transition behavior of LiNbO 3xwas investigated. The molecular dynamics simulations were used to study the ferroelectric-paraelectric phase transition of the compound. It was observed that the phase transition of NiNbO 3 was a two-stage process, which involved a order-disorder transition in the Li-O planes at the Curie temperature and displacive transition in the Nb-O cages at a temperature below Curie temperature. The effect of high-temperature structure on the dynamical response of the transition was also discussed.

AB - The phase transition behavior of LiNbO 3xwas investigated. The molecular dynamics simulations were used to study the ferroelectric-paraelectric phase transition of the compound. It was observed that the phase transition of NiNbO 3 was a two-stage process, which involved a order-disorder transition in the Li-O planes at the Curie temperature and displacive transition in the Nb-O cages at a temperature below Curie temperature. The effect of high-temperature structure on the dynamical response of the transition was also discussed.

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U2 - 10.1063/1.1669063

DO - 10.1063/1.1669063

M3 - Article

AN - SCOPUS:1842687773

SN - 0003-6951

VL - 84

SP - 1916

EP - 1918

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 11

ER -

Coupled displacive and order-disorder dynamics in LiNbO ₃ by molecular-dynamics simulation

Abstract

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