arXiv subjects

Antti-Pekka Jauho

Publications and source records attributed to Antti-Pekka Jauho.

At least 73 records · Page 4Linked to original sources

arXiv2014

Classical and Quantum Plasmonics in Graphene Nanodisks: the Role of Edge States

Edge states are ubiquitous for many condensed matter systems with multicomponent wave functions. For example, edge states play a crucial role in transport in zigzag graphene nanoribbons. Here, we report microscopic calculations of quantum plasmonics in doped graphene nanodisks with zigzag edges. We express the nanodisk conductivity $σ(ω)$ as a sum of the conventional bulk conductivity $σ_{\scriptscriptstyle\text{B}}(ω)$, and a novel term $σ_{\scriptscriptstyle\text{E}}(ω)$, corresponding to a coupling between the edge and bulk states. We show that the edge states give rise to a red-shift and broadening of the plasmon resonance, and that they often significantly impact the absorption efficiency. We further develop simplified models, incorporating nonlocal response within a hydrodynamical approach, which allow a semiquantitative description of plasmonics in the ultrasmall size regime. However, the polarization dependence is only given by fully microscopic models. The approach developed here should have many applications in other systems supporting edge states.

cond-mat.mes-hall↗

arXiv2014

Dual-probe spectroscopic fingerprints of defects in graphene

Recent advances in experimental techniques emphasize the usefulness of multiple scanning probe techniques when analyzing nanoscale samples. Here, we analyze theoretically dual-probe setups with probe separations in the nanometer range, i.e., in a regime where quantum coherence effects can be observed at low temperatures. In a dual-probe setup the electrons are injected at one probe and collected at the other. The measured conductance reflects the local transport properties on the nanoscale, thereby yielding information complementary to that obtained with a standard one-probe setup (the local density-of-states). In this work we develop a real space Green's function method to compute the conductance. This requires an extension of the standard calculation schemes, which typically address a finite sample between the probes. In contrast, the developed method makes no assumption on the sample size (e.g., an extended graphene sheet). Applying this method, we study the transport anisotropies in pristine graphene sheets, and analyze the spectroscopic fingerprints arising from quantum interference around single-site defects, such as vacancies and adatoms. Furthermore, we demonstrate that the dual-probe setup is a useful tool for characterizing the electronic transport properties of extended defects or designed nanostructures. In particular, we show that nanoscale perforations, or antidots, in a graphene sheet display Fano-type resonances with a strong dependence on the edge geometry of the perforation.

cond-mat.mes-hall↗

arXiv2014

Plasmon-mediated Coulomb drag between graphene waveguides

We analyze theoretically charge transport in Coulomb coupled graphene waveguides (GWGs). The GWGs are defined using antidot lattices, and the lateral geometry bypasses many technological challenges of earlier designs. The drag resistivity $ρ_D$, which is a measure of the many-particle interactions between the GWGs, is computed for a range of temperatures and waveguide separations. It is demonstrated that for $T>0.1T_F$ the drag is significantly enhanced due to plasmons, and that in the low-temperature regime a complicated behavior may occur. In the weak coupling regime the dependence of drag on the interwaveguide separation $d$ follows $ρ_D \sim d^{-n}$, where $n \simeq 6$.

cond-mat.mes-hall↗

arXiv2014

Nonlocal Response of Metallic Nanospheres Probed by Light, Electrons, and Atoms

Inspired by recent measurements on individual metallic nanospheres that can not be explained with traditional classical electrodynamics, we theoretically investigate the effects of nonlocal response by metallic nanospheres in three distinct settings: atomic spontaneous emission, electron energy loss spectroscopy, and light scattering. These constitute two near-field and one far-field measurements, with zero-, one-, and two-dimensional excitation sources, respectively. We search for the clearest signatures of hydrodynamic pressure waves in nanospheres. We employ a linearized hydrodynamic model and Mie-Lorenz theory is applied for each case. Nonlocal response shows its mark in all three configurations, but for the two near-field measurements we predict especially pronounced nonlocal effects that are not exhibited in far-field measurements. Associated with every multipole order is not only a single blueshifted surface plasmon, but also an infinite series of bulk plasmons that has no counterpart in a local-response approximation. We show that these increasingly blueshifted multipole plasmons become spectrally more prominent at shorter probe-to-surface separations and for decreasing nanosphere radii. For selected metals we predict hydrodynamic multipolar plasmons to be measurable on single nanospheres.

cond-mat.mes-hall↗

arXiv2013

Screening and Collective Modes in Disordered Graphene Antidot Lattices

The excitation spectrum and the collective modes of graphene antidot lattices (GALs) are studied in the context of a $π$-band tight-binding model. The dynamical polarizability and dielectric function are calculated within the random phase approximation. The effect of different kinds of disorder, such as geometric and chemical disorder, are included in our calculations. We highlight the main differences of GALs with respect to single-layer graphene (SLG). Our results show that, in addition to the well-understood bulk plasmon in doped samples, inter-band plasmons appear in GALs. We further show that the static screening properties of undoped and doped GALs are quantitatively different from SLG.

cond-mat.mes-hall↗

arXiv2013

Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS2 from first principles

We theoretically study the acoustic phonon limited mobility in n-doped two-dimensional MoS2 for temperatures T < 100 K and high carrier densities using the Boltzmann equation and first-principles calculations of the acoustic electron-phonon (el-ph) interaction. In combination with a continuum elastic model, analytic expressions and the coupling strengths for the deformation potential and piezoelectric interactions are established. We furthermore show that the deformation potential interaction has contributions from both normal and umklapp processes and that the latter contribution is only weakly affected by carrier screening. Consequently, the calculated mobilities show a transition from a high-temperature μT^{-1} behavior to a stronger μT^{-4} behavior in the low-temperature Bloch-Gruneisen regime characteristic of unscreened deformation potential scattering. Intrinsic mobilities in excess of 10^5 cm^2 V^{-1} s^{-1} are predicted at T < 10 K and high carrier densities (n > 10^{11} cm^{-2}). At 100 K, the mobility does not exceed ~7 x 10^3 cm2 V^{-1} s^{-1}. Our findings provide new and important understanding of the acoustic el-ph interaction and its screening by free carriers, and is of high relevance for the understanding of acoustic phonon limited mobilities in general.

cond-mat.mes-hall↗

arXiv2013

Blueshift of the surface plasmon resonance in silver nanoparticles studied with EELS

We study the surface plasmon (SP) resonance energy of isolated spherical Ag nanoparticles dispersed on a silicon nitride substrate in the diameter range 3.5-26 nm with monochromated electron energy-loss spectroscopy. A significant blueshift of the SP resonance energy of 0.5 eV is measured when the particle size decreases from 26 down to 3.5 nm. We interpret the observed blueshift using three models for a metallic sphere embedded in homogeneous background material: a classical Drude model with a homogeneous electron density profile in the metal, a semiclassical model corrected for an inhomogeneous electron density associated with quantum confinement, and a semiclassical nonlocal hydrodynamic description of the electron density. We find that the latter two models provide a qualitative explanation for the observed blueshift, but the theoretical predictions show smaller blueshifts than observed experimentally.in a homogeneous medium.

cond-mat.mes-hall↗

arXiv2013

Electronic and transport properties of kinked graphene

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT) we investigate the reduction of the reaction barrier for adsorption of atomic hydrogen at linear bends in graphene. We find a significant lowering (15%) for realistic radii of curvature (20 Å), and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink-lines, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink-lines form a graphene pseudo-nanoribbon structure with a semi-metallic/semi-conducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates into a transport gap for transport across the kink lines. We finally consider pseudo-ribbon based heterostructures, and propose that such structures present a novel approach for band gap engineering in nanostructured graphene.

cond-mat.mtrl-sci↗

arXiv2012

Electronic Properties of Disordered Graphene Antidot Lattices

Regular nanoscale perforations in graphene (graphene antidot lattices, GAL) are known to lead to a gap in the energy spectrum, thereby paving a possible way towards many applications. This theoretical prediction relies on a perfect placement of identical perforations, a situation not likely to occur in the laboratory. Here, we present a systematic study of the effects of disorder in GALs. We consider both geometric and chemical disorder, and evaluate the density-of-states as well as the optical conductivity of disordered GALs. The theoretical method is based on an efficient algorithm for solving the time-dependent Schr{ö}dinger equation in a tight-binding representation of the graphene sheet [S. Yuan et al., Phys. Rev. B 82, 115448 (2010)], which allows us to consider GALs consisting of 6400 $\times$ 6400 carbon atoms. The central conclusion for all kinds of disorder is that the gaps found for pristine GALs do survive at a considerable amount of disorder, but disappear for very strong disorder. Geometric disorder is more detrimental to gap formation than chemical disorder. The optical conductivity shows a low-energy tail below the pristine GAL band gap due to disorder-introduced transitions.

cond-mat.mes-hall↗

arXiv2012

Graphene plasmon polaritons: Substrate effects and nonlocal response

This paper is withdrawn by the authors. We theoretically examine graphene plasmon polaritons (GPP) supported by a sheet of graphene sandwiched between two dielectric media. The influence of the dielectric environment on GPP's is studied within local and nonlocal descriptions of graphene's conductivity. We demonstrate that a local-response approximation invariably leads, counter-intuitively, to a substrate-independent surface plasmon frequency. On the other hand, the nonlocal description of the electron gas allows the presence of non-vertical inter-band transitions which changes the results qualitatively: the GPP's now depend on the surroundings, and the singularity in the local GPP dispersion relation is removed.

cond-mat.mes-hall↗

arXiv2012

Thermoelectric properties of disordered graphene antidot devices

We calculate the electronic and thermal transport properties of devices based on finite graphene antidot lattices (GALs) connected to perfect graphene leads. We use an atomistic approach based on the $π$-tight-binding model, the Brenner potential, and employing recursive Green's functions. We consider the effect of random disorder on the electronic and thermal transport properties, and examine the potential gain of thermoelectric merit by tailoring of the disorder. We propose several routes to optimize the transport properties of the GAL systems. Finally, we illustrate how quantum thermal transport can be addressed by molecular dynamics simulations, and compare to the Green's function results for the GAL systems in the ballistic limit.

cond-mat.mes-hall↗

arXiv2012

Surface-enhanced Raman spectroscopy (SERS): nonlocal limitations

Giant field enhancement and field singularities are a natural consequence of the commonly employed local-response framework. We show that a more general nonlocal treatment of the plasmonic response leads to new and possibly fundamental limitations on field enhancement with important consequences for our understanding of SERS. The intrinsic length scale of the electron gas serves to smear out assumed field singularities, leaving the SERS enhancement factor finite even for geometries with infinitely sharp features. For silver nano-groove structures, mimicked by periodic arrays of half-cylinders (up to 120 nm in radius), we find no enhancement factors exceeding ten orders of magnitude (10^10).

physics.optics↗

arXiv2012

Fundamental limitations to gain enhancement in periodic media and waveguides

A common strategy to compensate for losses in optical nanostructures is to add gain material in the system. By exploiting slow-light effects it is expected that the gain may be enhanced beyond its bulk value. Here we show that this route cannot be followed uncritically: inclusion of gain inevitably modifies the underlying dispersion law, and thereby may degrade the slow-light properties underlying the device operation and the anticipated gain enhancement itself. This degradation is generic; we demonstrate it for three different systems of current interest (coupled resonator optical waveguides, Bragg stacks, and photonic crystal waveguides). Nevertheless, a small amount of added gain may be beneficial.

physics.optics↗

arXiv2012

Dynamical polarizability of graphene irradiated by circularly polarized ac electric fields

We examine the low-energy physics of graphene in the presence of a circularly polarized electric field in the terahertz regime. Specifically, we derive a general expression for the dynamical polarizability of graphene irradiated by an ac electric field. Several approximations are developed that allow one to develop a semianalytical theory for the weak field regime. The ac field changes qualitatively the single and many electron excitations of graphene: undoped samples may exhibit collective excitations (in contrast to the equilibrium situation), and the properties of the excitations in doped graphene are strongly influenced by the ac field. We also show that the intensity of the external field is the critical control parameter for the stability of these excitations.

cond-mat.mes-hall↗

arXiv2011

Electronic transport in graphene-based structures: an effective cross section approach

We show that transport in low-dimensional carbon structures with finite concentrations of scatterers can be modeled by utilising scaling theory and effective cross sections. Our reults are based on large scale numerical simulations of carbon nanotubes and graphene nanoribbons, using a tightbinding model with parameters obtained from first principles electronic structure calculations. As shown by a comprehensive statistical analysis, the scattering cross sections can be used to estimate the conductance of a quasi-1D system both in the Ohmic and localized regimes. They can be computed with good accuracy from the transmission functions of single defects, greatly reducing the computational cost and paving the way towards using first principles methods to evaluate the conductance of mesoscopic systems, consisting of millions of atoms.

cond-mat.mes-hall↗

arXiv2011

Modified field enhancement in plasmonic nanowire dimers due to nonlocal response

We study the effect of nonlocal optical response on the optical properties of metallic nanowires, by numerically implementing the hydrodynamical Drude model for arbitrary nanowire geometries. We first demonstrate the accuracy of our frequency-domain finite-element implementation by benchmarking it in a wide frequency range against analytical results for the extinction cross section of a cylindrical plasmonic nanowire. Our main results concern more complex geometries, namely cylindrical and bow-tie nanowire dimers that can strongly enhance optical fields. For both types of dimers we find that nonlocal response can strongly affect both the field enhancement in between the dimers and their respective extinction cross sections. In particular, we give examples of maximal field enhancements near hybridized plasmonic dimer resonances that are still large but nearly two times smaller than in the usual local-response description. At the same time, for a fixed frequency the field enhancement and cross section can also be significantly more enhanced in the nonlocal-response model.

cond-mat.mes-hall↗

arXiv2011

Unusual resonances in nanoplasmonic structures due to nonlocal response

We study the nonlocal response of a confined electron gas within the hydrodynamical Drude model. We address the question whether plasmonic nanostructures exhibit nonlocal resonances that have no counterpart in the local-response Drude model. Avoiding the usual quasi-static approximation, we find that such resonances do indeed occur, but only above the plasma frequency. Thus the recently found nonlocal resonances at optical frequencies for very small structures, obtained within quasi-static approximation, are unphysical. As a specific example we consider nanosized metallic cylinders, for which extinction cross sections and field distributions can be calculated analytically.

cond-mat.mes-hall↗

arXiv2011

Thermoelectric properties of finite graphene antidot lattices

We present calculations of the electronic and thermal transport properties of graphene antidot lattices with a finite length along the transport direction. The calculations are based on a single orbital tight-binding model and the Brenner potential. We show that both electronic and thermal transport properties converge fast toward the bulk limit with increasing length of the lattice: only a few repetitions (~6) of the fundamental unit cell are required to recover the electronic band gap of the infinite lattice as a transport gap for the finite lattice. We investigate how different antidot shapes and sizes affect the thermoelectric properties. The resulting thermoelectric figure of merit, ZT, can exceed 0.25, and it is highly sensitive to the atomic arrangement of the antidot edges. Specifically, hexagonal holes with pure zigzag edges lead to an order-of-magnitude smaller ZT as compared to pure armchair edges. We explain this behavior as a consequence of the localization of states, which predominantly occurs for zigzag edges, and of an increased splitting of the electronic minibands, which reduces the power factor.

cond-mat.mes-hall↗