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Flexibility window controls pressure-induced phase transition in analcime
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Sartbaeva, Asel, Gatta, G. D. and Wells, Stephen A. (2008) Flexibility window controls pressure-induced phase transition in analcime. Europhysics Letters, Volume 83 (Number 2). 26002. doi:10.1209/0295-5075/83/26002
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Official URL: http://dx.doi.org/10.1209/0295-5075/83/26002
Abstract
Analcime under pressure undergoes a phase transition at similar to 1.0GPa from a cubic (Ia (3) over bard) form to a low-symmetry triclinic (P (1) over bar) form. We use geometric simulation to relate the pressure behavior of analcime to a recently discovered property of zeolite frameworks, the "flexibility window", defined as the range of densities over which the tetrahedral units in the framework can in principle be made geometrically ideal. Our results show that the range of stability of the cubic phase in analcime is defined by the flexibility window of the cubic framework. Analcime at low density can undergo tetragonal distortion while remaining within the flexibility window, consistent with experimental reports of non-cubic symmetries. On compression to higher densities, the capacity for tetragonal distortion is greatly reduced, accounting for the dramatic reduction in symmetry at the pressure-induced phase transition. Copyright (C) EPLA, 2008.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics | ||||
| Divisions: | Faculty of Science > Centre for Scientific Computing | ||||
| Library of Congress Subject Headings (LCSH): | Analcime, Phase transformations (Statistical physics), Pressure | ||||
| Journal or Publication Title: | Europhysics Letters | ||||
| Publisher: | EDP Sciences | ||||
| ISSN: | 0295-5075 | ||||
| Official Date: | 2008 | ||||
| Dates: |
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| Volume: | Volume 83 | ||||
| Number: | Number 2 | ||||
| Number of Pages: | 5 | ||||
| Article Number: | 26002 | ||||
| DOI: | 10.1209/0295-5075/83/26002 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Funder: | Violette and Samuel Glasstone Research Fellowship, Leverhulme Trust (LT) |
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