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Lattice dynamics and structural phase transitions in the AMIIF3 and AMIIIF4 fluorides

โœ Scribed by J. Nouet; M. Rousseau; A. Bulou

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
50 KB
Volume
35
Category
Article
ISSN
0022-1139

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๐Ÿ“œ SIMILAR VOLUMES

Molecular Dynamics Simulation of Structu
Molecular Dynamics Simulation of Structural Phase Transitions in RbNO3 and CsNO3
โœ Jianjun Liu; Chun-gang Duan; M.M. Ossowski; W.N. Mei; R.W. Smith; J.R. Hardy ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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