Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

Rasmus Bjerregaard Christensen; Jing Tao Lü; Per Hedegård; Mads Brandbyge

doi:10.3762/bjnano.7.8

Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

Rasmus Bjerregaard Christensen, Jing Tao Lü, Per Hedegård, Mads Brandbyge^*

^*Corresponding author af dette arbejde

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3 Citationer (Scopus)

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Abstract

We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.

Originalsprog	Engelsk
Tidsskrift	Beilstein Journal of Nanotechnology
Vol/bind	7
Udgave nummer	1
Sider (fra-til)	68-74
Antal sider	7
ISSN	2190-4286
DOI	https://doi.org/10.3762/bjnano.7.8
Status	Udgivet - 2016

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10.3762/bjnano.7.8Licens: CC BY

2190-4286-7-8Forlagets udgivne version, 1,9 MBLicens: CC BY

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abstract = "We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.",

keywords = "Current-induced forces, Density functional theory (NEGF-DFT), Graphene, Molecular electronics",

author = "Christensen, {Rasmus Bjerregaard} and L{\"u}, {Jing Tao} and Per Hedeg{\aa}rd and Mads Brandbyge",

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T1 - Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

AU - Christensen, Rasmus Bjerregaard

AU - Lü, Jing Tao

AU - Hedegård, Per

AU - Brandbyge, Mads

PY - 2016

Y1 - 2016

N2 - We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.

AB - We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.

KW - Current-induced forces

KW - Density functional theory (NEGF-DFT)

KW - Graphene

KW - Molecular electronics

U2 - 10.3762/bjnano.7.8

DO - 10.3762/bjnano.7.8

M3 - Letter

C2 - 26925354

AN - SCOPUS:84994037280

SN - 2190-4286

VL - 7

SP - 68

EP - 74

JO - Beilstein Journal of Nanotechnology

JF - Beilstein Journal of Nanotechnology

IS - 1

ER -

Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

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