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Dynamic mechanisms of the structural phase transitions in KNbO 3 : Molecular dynamics simulations

✍ Scribed by Sepliarsky, M.; Stachiotti, M. G.; Migoni, R. L.; Rodriguez, C. O.

Book ID
118006624
Publisher
Taylor and Francis Group
Year
1999
Tongue
English
Weight
894 KB
Volume
234
Category
Article
ISSN
0015-0193

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πŸ“œ SIMILAR VOLUMES

Molecular Dynamics Simulation of Structu
Molecular Dynamics Simulation of Structural Phase Transitions in RbNO3 and CsNO3
✍ Jianjun Liu; Chun-gang Duan; M.M. Ossowski; W.N. Mei; R.W. Smith; J.R. Hardy πŸ“‚ Article πŸ“… 2001 πŸ› Elsevier Science 🌐 English βš– 398 KB

Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans