TY - JOUR
T1 - Long-lived discrete breathers in free-standing graphene
AU - Fraile, Alberto
AU - Koukaras, Emmanuel N.
AU - Papagelis, Konstantinos
AU - Lazarides, Nikos
AU - Tsironis, G. P.
N1 - Funding Information:
This work was partially supported by the European Union's Seventh Framework Programme (FP7-REGPOT-2012-2013-1) under grant agreement no 316165 . This work was also partially supported by the THALES Project ANEMOS, co-financed by the European Union ( European Social Fund-ESF ) and Greek National Funds through the Operational Program ‘‘Education and Lifelong Learning’’ of the National Strategic Reference Framework (NSRF) ‘‘Investing in knowledge society through the European Social Fund.’’
PY - 2016/6/1
Y1 - 2016/6/1
N2 - Intrinsic localized modes or discrete breathers (DBs) are investigated by molecular dynamics simulations in free-standing graphene. DBs are generated either through thermal quenching of the graphene lattice or by proper initialization, with frequencies and lifetimes sensitively depending on the interatomic potential describing the carbon-carbon interaction. In the most realistic scenario, for which temperature-dependent molecular dynamics simulations in three dimensions using a graphene-specific interatomic potential are performed, the DBs lifetimes increase to hundreds of picoseconds even at relatively high temperatures. These lifetimes are much higher than those anticipated from earlier calculations, and may enable direct breather observation in Raman spectroscopy experiments. Our simulations provide clear estimation for the temperatures in which DBs are expected to be thermally excited (1500-2000 K) representing a step forward for understanding the nonlinear physics of graphene and designing experiments in order to detect DBs, with possible impact in graphene-based future technological applications.
AB - Intrinsic localized modes or discrete breathers (DBs) are investigated by molecular dynamics simulations in free-standing graphene. DBs are generated either through thermal quenching of the graphene lattice or by proper initialization, with frequencies and lifetimes sensitively depending on the interatomic potential describing the carbon-carbon interaction. In the most realistic scenario, for which temperature-dependent molecular dynamics simulations in three dimensions using a graphene-specific interatomic potential are performed, the DBs lifetimes increase to hundreds of picoseconds even at relatively high temperatures. These lifetimes are much higher than those anticipated from earlier calculations, and may enable direct breather observation in Raman spectroscopy experiments. Our simulations provide clear estimation for the temperatures in which DBs are expected to be thermally excited (1500-2000 K) representing a step forward for understanding the nonlinear physics of graphene and designing experiments in order to detect DBs, with possible impact in graphene-based future technological applications.
KW - Breathers
KW - Graphene
KW - Molecular dynamics
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U2 - 10.1016/j.chaos.2016.04.015
DO - 10.1016/j.chaos.2016.04.015
M3 - Article
AN - SCOPUS:84964374804
VL - 87
SP - 262
EP - 267
JO - Chaos, Solitons and Fractals
JF - Chaos, Solitons and Fractals
SN - 0960-0779
ER -