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APS » Journals » Phys. Rev. Lett. » Volume 97 » Issue 22
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Phys. Rev. Lett. 97, 225502 (2006) [4 pages]

Amorphization Induced by Pressure: Results for Zeolites and General Implications

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Inmaculada Peral1,2,3 and Jorge Íñiguez1,3
1Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain
2Departament de Física, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain
3NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA

Received 11 August 2006; published 27 November 2006

We report an ab initio study of pressure-induced amorphization (PIA) in zeolites, which are model systems for this phenomenon. We confirm the occurrence of recently reported low-density amorphous phases that preserve the crystalline topology, and explain the role of the zeolite composition regarding PIA. Our results support the correctness of existing models for the basic PIA mechanism, but suggest that energetic, rather than kinetic, factors determine the irreversibility of the transition.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.97.225502
DOI:
10.1103/PhysRevLett.97.225502
PACS:
61.50.Ks, 61.43.Fs, 64.70.Pf, 82.75.−z
 
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