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1.
Sci Rep ; 12(1): 18624, 2022 Nov 03.
Artigo em Inglês | MEDLINE | ID: mdl-36329251

RESUMO

Atomically thin crystals may exhibit peculiar dispersive electronic states equivalent to free charged particles of ultralight to ultraheavy masses. A rare coexistence of linear and parabolic dispersions yields correlated charge density modes exploitable for nanometric light confinement. Here, we use a time-dependent density-functional approach, under several levels of increasing accuracy, from the random-phase approximation to the Bethe-Salpeter equation formalism, to assess the role of different synthesized germanene samples as platforms for these plasmon excitations. In particular, we establish that both freestanding and some supported germenene monolayers can sustain infrared massless modes, resolved into an out-of-phase (optical) and an in-phase (acoustic) component. We further indicate precise experimental geometries that naturally host infrared massive modes, involving two different families of parabolic charge carriers. We thus show that the interplay of the massless and massive plasmons can be finetuned by applied extrinsic conditions or geometry deformations, which constitutes the core mechanism of germanene-based optoelectronic and plasmonic applications.

2.
Sci Rep ; 12(1): 15107, 2022 Sep 06.
Artigo em Inglês | MEDLINE | ID: mdl-36068278

RESUMO

The search for connections between electronic and structural features is a key factor in the synthesis of artificial materials for on-demand applications, with graphene and analogous elemental semimetals playing a distinguished role as building blocks of photonic and plasmonic systems. In particular, a diversity of arrangements and electronic-state dispersions is offered by currently synthesized two-dimensional allotropes of silicon and germanium, respectively known as silicene and germanene. These monolayers make the ideal playground to understand how their collective and single-particle electronic states, excited by electron or light beams, may be controlled by geometry rather than doping or gating. Here, we provide such a study using time-dependent density-functional theory, in the random-phase approximation, to identify the structural dependent properties of charge-density plasmon oscillations and optical absorption in flat to buckled silicene and germanene lattices. We further single out flat germanene as an unprecedented two-dimensional conductor, hosting Dirac cone fermions in parallel with metal-like charge carriers, which contribute to strong intraband plasmon modes and one-electron excitations in the far-infrared limit. Finally, we show how this atypical scenario can be tuned by external stress or strain.

3.
Nanomaterials (Basel) ; 12(12)2022 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-35745366

RESUMO

We present an analysis of the electronic and plasmonic behavior of periodic planar distributions of sufficiently wide graphene nanoribbons, for which a thorough ab initio investigation is practically unfeasible. Our approach is based on a semi-analytical model whose only free parameter is the charge carrier velocity, which we estimate by density-functional theory calculations on graphene. By this approach, we show that the plasmon resonance energies of the scrutinized systems fall in the lower THz band, relevant for optoelectronic and photonic applications. We further observe that these energies critically depend on the charge carrier concentration, ribbon width, electron relaxation rate, and in-plane transferred momentum angle, thus, suggesting a tunability of the associated light-matter modes.

4.
Beilstein J Nanotechnol ; 8: 172-182, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-28243554

RESUMO

Recent experimental evidence for and the theoretical confirmation of tunable edge plasmons and surface plasmons in graphene nanoribbons have opened up new opportunities to scrutinize the main geometric and conformation factors, which can be used to modulate these collective modes in the infrared-to-terahertz frequency band. Here, we show how the extrinsic plasmon structure of regular planar arrays of graphene nanoribbons, with perfectly symmetric edges, is influenced by the width, chirality and unit-cell length of each ribbon, as well as the in-plane vacuum distance between two contiguous ribbons. Our predictions, based on time-dependent density functional theory, in the random phase approximation, are expected to be of immediate help for measurements of plasmonic features in nanoscale architectures of nanoribbon devices.

5.
Beilstein J Nanotechnol ; 6: 755-66, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-25977846

RESUMO

The sudden introduction of a local impurity in a Fermi sea leads to an anomalous disturbance of its quantum state that represents a local quench, leaving the system out of equilibrium and giving rise to the Anderson orthogonality catastrophe. The statistics of the work done describe the energy fluctuations produced by the quench, providing an accurate and detailed insight into the fundamental physics of the process. We present here a numerical approach to the non-equilibrium work distribution, supported by applications to phenomena occurring at very diverse energy ranges. One of them is the valence electron shake-up induced by photo-ionization of a core state in a fullerene molecule. The other is the response of an ultra-cold gas of trapped fermions to an embedded two-level atom excited by a fast pulse. Working at low thermal energies, we detect the primary role played by many-particle states of the perturbed system with one or two excited fermions. We validate our approach through the comparison with some photoemission data on fullerene films and previous analytical calculations on harmonically trapped Fermi gases.

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