Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
Volume 249, Issue 10, Pages 1880-1885Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.201200355
Keywords
glasses; molecular dynamics simulations; phase change materials; supercooled liquids
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Funding
- Italian MURST
- Cariplo Foundation through project MONADS
- Regione Lombardia
- CILEA Consortium through a LISA Initiative (Laboratory for Interdisciplinary Advanced Simulation)
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The application of amorphous chalcogenide alloys as data-storage media relies on their ability to undergo an extremely fast (10100?ns) crystallization once heated at sufficiently high temperature. However, the peculiar features that make these materials so attractive for memory devices still lack a comprehensive microscopic understanding. By means of large scale molecular dynamics simulations, we demonstrate that the supercooled liquid of the prototypical compound GeTe shows a very high atomic mobility (D similar to 10-6?cm2?s-1) down to temperatures close to the glass transition temperatures. This behavior leads to a breakdown of the StokesEinstein relation between the self-diffusion coefficient and the viscosity in the supercooled liquid. The results suggest that the fragility of the supercooled liquid is the key to understand the fast crystallization process in this class of materials.
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