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research article

Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires

Gabardi, S.
•
Baldi, E.
•
Bosoni, E.
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2017
Journal Of Physical Chemistry C

Nanowires made of chalcogenide alloys are of interest for use in phase-change nonvolatile memories. For this application, insights into the thermal properties of such nanowires and, in particular, into the crystallization kinetics at the atomic level are crucial. Toward this end, we have performed large-scale atomistic simulations of ultrathin nanowires (9 nm in diameter) of the prototypical phase change compound GeTe. We made use of an interatomic potential generated by the neural network fitting of a large ab initio database to compute the thermal properties of the nanowires. By melting a portion of a nanowire, we investigated the velocity of recrystallization as a function of temperature. The simulations show that the melting temperature of the nanowire is about 100 K below the melting temperature of the bulk, which yields a reduction by about a factor of 2 of the maximum crystallization speed. Further, analysis of the structural properties of the amorphous phase of the nanowire suggests a possible origin of the reduction of the resistance drift observed experimentally in nanowires with respect to the bulk.

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Type
research article
DOI
10.1021/acs.jpcc.7b09862
Web of Science ID

WOS:000414114800065

Author(s)
Gabardi, S.
Baldi, E.
Bosoni, E.
Campi, D.
Caravati, S.
Sosso, G. C.
Behler, J.
Bernasconi, M.
Date Issued

2017

Publisher

American Chemical Society

Published in
Journal Of Physical Chemistry C
Volume

121

Issue

42

Start page

23827

End page

23838

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
COSMO  
Available on Infoscience
December 4, 2017
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/142622
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