arXiv subjects

V. Cataudella

Publications and source records attributed to V. Cataudella.

At least 73 records · Page 4Linked to original sources

arXiv2016

Band gap in Bi2Se3 topological insulator nanowires: magnetic and geometrical effects

Stimulated by the recent realization of three dimensional topological insulator nanowire interfer- ometers, a theoretical analysis of quantum interference effects on the low energy spectrum of Bi2Se3 nanowires is presented. The electronic properties are analyzed in nanowires with circular, square and rectangular cross-sections starting from a continuum three dimensional model with particular emphasis on magnetic and geometrical effects. The theoretical study is based on numerically exact diagonalizations of the discretized model for all the geometries. In the case of the cylindrical wire, an approximate analytical solution of the continuum model is also discussed. Although a magnetic field corresponding to half quantum flux is expected to close the band gap induced by Berry phase, in all the studied geometries with finite area cross-sections, the gap closes for magnetic fields typically larger than those expected. Furthermore, unexpectedly, due to geometrical quantum interference effects, for a rectangular wire with a sufficiently large aspect ratio and smaller side ranging from 50°A and 100°A, the gap closes for a specific finite area cross-section without the application of a magnetic field.

cond-mat.mes-hall↗

arXiv2014

Interplay between electron-electron and electron-vibration interactions on the thermoelectric properties of molecular junctions

The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic approach is generalized to include large Coulomb repulsion through a self-consistent procedure and applied to the investigation of large molecules, such as fullerenes, within the Coulomb blockade regime. The focus is on the phonon thermal conductance which is quite sensitive to the effects of strong electron-electron interactions within the intermediate electron-vibration coupling regime. The electron-vibration interaction enhances the phonon and electron thermal conductance, and it reduces the charge conductance and the thermopower inducing a decrease of the thermoelectric figure of merit. For realistic values of junction parameters, the peak values of the thermoelectric figure of merit are still of the order of unity since the phonon thermal conductance can be even smaller than the electron counterpart.

cond-mat.mes-hall↗

arXiv2014

Crossover from Super- to Sub-Diffusive Motion and Memory Effects in Crystalline Organic Semiconductors

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to sub-diffusive motion occurs in the range $150 \leq T \leq 200$ K, where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model which can successfully explain low frequencies features of the absorption spectra. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

cond-mat.mtrl-sci↗

arXiv2014

Mobility of Holstein polaron: an unbiased approach

We present the first unbiased results for the mobility $μ$ of one-dimensional Holstein polaron obtained by numerical analytic continuation combined with diagrammatic and world-line Monte Carlo methods in the thermodynamic limit. We have identified for the first time, by the characteristic $ω$ and $T$ dependence in the wide region of parameters, several distinct regimes in the $λ-T$ plane including band conduction region, incoherent metallic region, activated hopping region, and high temperature saturation region. We observe for the first time that although mobilities and mean free paths at different values of $λ$ differ by many orders of magnitude at small temperatures, their values at $T$ larger than the bandwidth become very close to each other.

cond-mat.str-el↗

arXiv2014

Interplay of charge, spin and lattice degrees of freedom on the spectral properties of the one-dimensional Hubbard-Holstein model

We calculate the spectral function of the one dimensional Hubbard-Holstein model using the time dependent Density Matrix Renormalization Group (tDMRG), focusing on the regime of large local Coulomb repulsion, and away from electronic half-filling. We argue that, from weak to intermediate electron-phonon coupling, phonons interact only with the electronic charge, and not with the spin degrees of freedom. For strong electron-phonon interaction, spinon and holon bands are not discernible anymore and the system is well described by a spinless polaronic liquid. In this regime, we observe multiple peaks in the spectrum with an energy separation corresponding to the energy of the lattice vibrations (i.e., phonons). We support the numerical results by introducing a well controlled analytical approach based on Ogata-Shiba's factorized wave-function, showing that the spectrum can be understood as a convolution of three contributions, originating from charge, spin, and lattice sectors. We recognize and interpret these signatures in the spectral properties and discuss the experimental implications.

cond-mat.str-el↗

arXiv2014

Electron-vibration effects on the thermoelectric efficiency of molecular junctions

The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a non-equilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation is implemented for electron and phonon thermal conductance showing that both increase with the inclusion of the electron-vibration coupling. Moreover, we show that the deviations from the Wiedemann-Franz law are progressively reduced upon increasing the interaction between electronic and vibrational degrees of freedom. Consequently, the junction thermoelectric efficiency is substantially reduced by the electron-vibration coupling. Even so, for realistic parameters values, the thermoelectric figure of merit can still have peaks of the order of unity. Finally, in the off-resonant electronic regime, our results are compared with those of an approach which is exact for low molecular electron densities. We give evidence that in this case additional quantum effects, not included in the first part of this work, do not affect significantly the junction thermoelectric properties in any temperature regime.

cond-mat.mes-hall↗

arXiv2014

New formulation of the Kubo Optical Conductivity: a Shortcut to Transport Properties

The Kubo formula for the electrical conductivity is rewritten in terms of a sum of Drude-like contributions associated to the exact eigenstates of the interacting system, each characterized by its own frequency-dependent relaxation time. The structure of the novel and equivalent formulation, weighting the contribution from each eigenstate by its Boltzmann occupation factor, simplifies considerably the access to the static properties (dc conductivity) and resolves the long standing difficulties to recover the Boltzmann result for dc conductivity from the Kubo formula. It is shown that the Boltzmann result, containing the correct transport scattering time instead of the electron lifetime determined by the Green function, can be recovered in problems with elastic and inelastic scattering at the lowest order of interaction.

cond-mat.other↗

arXiv2014

Noise-assisted Thouless pump in elastically deformable molecular junctions

We study a Thouless pump realized with an elastically \textit{deformable quantum dot} whose center of mass follows a non-linear stochastic dynamics. The interplay of noise, non-linear effects, dissipation and interaction with an external time-dependent driving on the pumped charge is fully analyzed. The results show that the quantum pumping mechanism not only is not destroyed by the force fluctuations, but it becomes stronger when the forcing signal frequency is tuned close to the resonance of the vibrational mode. The robustness of the quantum pump with temperature is also investigated and an exponential decay of the pumped charge is found when the coupling to the vibrational mode is present. Implications of our results for nano-electromechanical systems are also discussed.

cond-mat.mes-hall↗

arXiv2014

Effects of different electron-phonon couplings on spectral and transport properties of small molecule single-crystal organic semiconductors

Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While, in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low frequency inter-molecular and high frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes.

cond-mat.str-el↗

arXiv2013

Single-parameter adiabatic charge pumping in carbon nanotube resonators

Single-parameter adiabatic charge pumping, induced by a nearby radio-frequency antenna, is achieved in suspended carbon nanotubes close to the mechanical resonance. The charge pumping is due to an important dynamic adjustment of the oscillating motion to the antenna signal and it is different from the mechanism active in the two-parameter pumping. Finally, the second harmonic oscillator response shows an interesting relationship with the first harmonic that should be experimentally observed.

cond-mat.mes-hall↗

arXiv2013

Magnetic effects on nonlinear mechanical properties of a suspended carbon nanotube

We propose a microscopic model for a nanoelectromechanical system made by a radio-frequency driven suspended carbon nanotube (CNT) in the presence of an external magnetic field perpendicular to the current. As a main result, we show that, when the device is driven far from equilibrium, one can tune the CNT mechanical properties by varying the external magnetic field. Indeed, the magnetic field affects the CNT bending mode dynamics inducing an enhanced damping as well as a noise term due to the electronic phase fluctuations. The quality factor, as observed experimentally, exhibits a quadratic dependence on external magnetic field strength. Finally, CNT resonance frequencies as a function of gate voltage acquire, increasing the magnetic field strength, a peculiar dip-peak structure that should be experimentally observed.

cond-mat.mes-hall↗

arXiv2012

Quantum Dynamics of the Hubbard-Holstein Model in Equilibrium and Non-Equilibrium: Application to Pump-Probe Phenomena

The spectral response and physical features of the 2D Hubbard-Holstein model are calculated both in equilibrium at zero and low chemical dopings, and after an ultra short powerful light pulse, in undoped systems. At equilibrium and at strong charge-lattice couplings, the optical conductivity reveals a 3-peak structure in agreement with experimental observations. After an ultra short pulse and at nonzero electron-phonon interaction, phonon and spin subsystems oscillate with the phonon period $T_{ph} \approx 80$ fs. The decay time of the phonon oscillations is about 150-200 fs, similar to the relaxation time of the charge system. We propose a criterion for observing these oscillations in high $T_c$ compounds: the time span of the pump light pulse $τ_{pump}$ has to be shorter than the phonon oscillation period $T_{ph}$.

cond-mat.str-el↗

arXiv2012

Probing nonlinear mechanical effects through electronic currents: the case of a nanomechanical resonator acting as electronic transistor

We study a general model describing a self-detecting single electron transistor realized by a suspended carbon nanotube actuated by a nearby antenna. The main features of the device, recently observed in a number of experiments, are accurately reproduced. When the device is in a low current-carrying state, a peak in the current signals a mechanical resonance. On the contrary, a dip in the current is found in high current-carrying states. In the nonlinear vibration regime of the resonator, we are able to reproduce quantitatively the characteristic asymmetric shape of the current-frequency curves. We show that the nonlinear effects coming out at high values of the antenna amplitude are related to the effective nonlinear force induced by the electronic flow. The interplay between electronic and mechanical degrees of freedom is understood in terms of an unifying model including in an intrinsic way the nonlinear effects driven by the external probe.

cond-mat.mes-hall↗

arXiv2012

Bipolaron formation in organic semiconductors at the interface with dielectric gates

The formation of the electron-phonon induced bipolaron is shown to be feasible in organic semiconductors at the interface with dielectric gates due to the coupling of the carriers with interface vibrational modes and to the weak to intermediate strength of bulk electron-electron interaction. The polaronic bound states are found to be quite robust in a model with realistic strengths of electron coupling to both bulk and interface phonons. The crossover to nearly on-site bipolarons occurs for coupling values much smaller than those for nearly on-site polarons, but, on the other hand, it gives rise to an activated behavior of mobility with much larger activation energies. The results are discussed in connection with rubrene field-effect transistors.

cond-mat.str-el↗

arXiv2011

On the nature of the optical conductivity of polaron

We study theoretically a fundamental issue in solids: the evolution of the optical spectra of polaron as the electron-phonon coupling increases. By comparing the exact results obtained by diagrammatic Monte Carlo method and the data got through exact diagonalization within an appropriate subspace of the phononic wavefunctions, the physical nature of the crossover from weak to strong coupling is revealed. The optical spectra are well understood by the quantum mechanical superposition of states with light and heavy phonon clouds corresponding to large and small polarons, respectively. It is also found that the strong coupling Franck-Condon regime is not accessible at realistic values of the coupling constant.

cond-mat.str-el↗

arXiv2011

Interplay between electron-phonon couplings and disorder strength on the transport properties of organic semiconductors

The combined effect of bulk and interface electron-phonon couplings on the transport properties is investigated in a model for organic semiconductors gated with polarizable dielectrics. While the bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the interface coupling is dominant for the activated high $T$ contribution of localized polarons. In order to improve the description of the transport properties, the presence of disorder is needed in addition to electron-phonon couplings. The effects of a weak disorder largely enhance the activation energies of mobility and induce the small polaron formation at lower values of electron-phonon couplings in the experimentally relevant window $150 K<T<300 K$. The results are discussed in connection with experimental data of rubrene organic field-effect transistors.

cond-mat.str-el↗

arXiv2011

Electronic transport within a quasi two-dimensional model for rubrene single-crystal field effect transistors

Spectral and transport properties of the quasi two-dimensional adiabatic Su-Schrieffer-Heeger model are studied adjusting the parameters in order to model rubrene single-crystal field effect transistors with small but finite density of injected charge carriers. We show that, with increasing temperature $T$, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions is calculated including vertex corrections which give rise to a transport lifetime one order of magnitude smaller than spectral lifetime of the states involved in the transport mechanism. With increasing temperature, the transport properties reach the Ioffe-Regel limit which is ascribed to less and less appreciable contribution of itinerant states to the conduction process. The model provides features of the mobility in close agreement with experiments: right order of magnitude, scaling as a power law $T^{-γ}$, with $γ$ close or larger than two, and correct anisotropy ratio between different in-plane directions. Due to a realistic high dimensional model, the results are not biased by uncontrolled approximations.

cond-mat.str-el↗

arXiv2011

Effects of electron coupling to intra- and inter-molecular vibrational modes on the transport properties of single crystal organic semiconductors

Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond perturbative approaches. The interplay between different couplings strongly affects the temperature band renormalization that is the result of a subtle equilibrium between opposite tendencies: band narrowing due to interaction with local modes, band widening due to electron coupling to non local modes. The model provides an accurate description of the mobility as function of temperature: indeed, it has the correct order of magnitude, at low temperatures, it scales as a power-law $T^{-δ}$ with the exponent $δ$ larger than unity, and, at high temperatures, shows an hopping behavior with a small activation energy.

cond-mat.str-el↗