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

S. R. Phillpot, Venkatraman Gopalan

Research output: Contribution to journalArticle

29 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)1916-1918
Number of pages3
JournalApplied Physics Letters
Volume84
Issue number11
DOIs
StatePublished - Mar 15 2004

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disorders
molecular dynamics
simulation
Curie temperature
temperature

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

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Coupled displacive and order-disorder dynamics in LiNbO 3 by molecular-dynamics simulation. / Phillpot, S. R.; Gopalan, Venkatraman.

In: Applied Physics Letters, Vol. 84, No. 11, 15.03.2004, p. 1916-1918.

Research output: Contribution to journalArticle

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