Electronic excitation in an<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msup><mml:mi mathvariant="normal">Ar</mml:mi><mml:mrow><mml:mn>7</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math>ion traversing a graphene sheet: Molecular dynamics simulations

Miyamoto, Yoshiyuki; Zhang, Hong

doi:10.1103/physrevb.77.161402

Cited by 28 publications

(16 citation statements)

References 24 publications

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“…This means that, transiently and locally, in the femtosecond and nanometre scale, graphene is able to sustain extremely high current densities. The positive charges created by electron capture and electron emission are spread over the entire layer44.…”

Section: Resultsmentioning

confidence: 99%

Ultrafast electronic response of graphene to a strong and localized electric field

et al. 2016

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The way conduction electrons respond to ultrafast external perturbations in low dimensional materials is at the core of the design of future devices for (opto)electronics, photodetection and spintronics. Highly charged ions provide a tool for probing the electronic response of solids to extremely strong electric fields localized down to nanometre-sized areas. With ion transmission times in the order of femtoseconds, we can directly probe the local electronic dynamics of an ultrathin foil on this timescale. Here we report on the ability of freestanding single layer graphene to provide tens of electrons for charge neutralization of a slow highly charged ion within a few femtoseconds. With values higher than 1012 A cm−2, the resulting local current density in graphene exceeds previously measured breakdown currents by three orders of magnitude. Surprisingly, the passing ion does not tear nanometre-sized holes into the single layer graphene. We use time-dependent density functional theory to gain insight into the multielectron dynamics.

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Section: Resultsmentioning

confidence: 99%

Ultrafast electronic response of graphene to a strong and localized electric field

et al. 2016

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“…Only recently, the possibility of quantitatively describing the interaction of projectile atoms with the electronic and ionic system of the host material entirely within first-principles calculations has come within reach. [30][31][32][33][34][35][36][37] These recent advances for realistic materials rely on non-perturbative time-dependent density functional theory (TDDFT), 26 and its implementation in efficient electronic-structure codes. 38,39 At this point, however, there are still many open questions regarding, not only the physics of electronic stopping (e.g.…”

Section: Introductionmentioning

confidence: 99%

Accurate atomistic first-principles calculations of electronic stopping

2015

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We show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate non-adiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad-hoc parameters such as effective charges, or assumptions about the dielectric function. Our work clearly shows that this atomistic first-principles description of electronic stopping is able to disentangle contributions due to tightly bound semicore electrons and geometric aspects of the stopping geometry (channeling vs. off-channeling) in a wide range of projectile velocities.

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“…Although the role of nonadiabaticity is, to some extent, smeared out due to good conducting properties of nanotubes, several attempts have been made to assess the role of electronic excitations in ion collisions with carbon nanostructures. 136,138,220 Some other nanosystems have been studied as well. 137 In particular, a combination of time dependent DFT and classical MD for ions, 221 can be used to obtain an unbiased microscopic insight into the interaction of energetic particles with target atoms, since time-dependent ͑TD͒ DFT-MD treats electron and ion dynamics on the same footing in real time.…”

Section: F Time-dependent Dft Simulationsmentioning

confidence: 99%

Ion and electron irradiation-induced effects in nanostructured materials

Krasheninnikov¹,

Nordlund²

2010

Journal of Applied Physics

936

591

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A common misconception is that the irradiation of solids with energetic electrons and ions has exclusively detrimental effects on the properties of target materials. In addition to the well-known cases of doping of bulk semiconductors and ion beam nitriding of steels, recent experiments show that irradiation can also have beneficial effects on nanostructured systems. Electron or ion beams may serve as tools to synthesize nanoclusters and nanowires, change their morphology in a controllable manner, and tailor their mechanical, electronic, and even magnetic properties. Harnessing irradiation as a tool for modifying material properties at the nanoscale requires having the full microscopic picture of defect production and annealing in nanotargets. In this article, we review recent progress in the understanding of effects of irradiation on various zero-dimensional and one-dimensional nanoscale systems, such as semiconductor and metal nanoclusters and nanowires, nanotubes, and fullerenes. We also consider the two-dimensional nanosystem graphene due to its similarity with carbon nanotubes. We dwell on both theoretical and experimental results and discuss at length not only the physics behind irradiation effects in nanostructures but also the technical applicability of irradiation for the engineering of nanosystems.

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Electronic excitation in anAr7+ion traversing a graphene sheet: Molecular dynamics simulations

Cited by 28 publications

References 24 publications

Ultrafast electronic response of graphene to a strong and localized electric field

Ultrafast electronic response of graphene to a strong and localized electric field

Accurate atomistic first-principles calculations of electronic stopping

Ion and electron irradiation-induced effects in nanostructured materials

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