Amorphization induced by pressure: results for zeolites and general implications

Details Amorphization induced by pressure: results for zeolites and general implications Amorphization induced by pressure: results for zeolites and general implications

2006-09-07

arxiv.org/abs/cond-mat/0609160v1

Phys. Rev. Lett. 97, 225502 (2006)

Physics

Condensed Matter

Materials Science

4 pages with 3 figures embedded. More information at http://www.icmab.es/dmmis/leem/jorge

Scientific paper

10.1103/PhysRevLett.97.225502

We report an {\sl ab initio} study of pressure-induced amorphization (PIA) in zeolites, which are model systems for this phenomenon. We confirm the occurrence of low-density amorphous phases like the one reported by Greaves {\sl et al.} [Science {\bf 308}, 1299 (2005)], which preserves the crystalline topology and might constitute a new type of glass. The role of the zeolite composition regarding PIA is explained. Our results support the correctness of existing models for the basic PIA mechanim, but suggest that energetic, rather than kinetic, factors determine the irreversibility of the transition.

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