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

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.Comment: 8 pages, 1 Appendix, 12 pages. arXiv admin note: substantial text overlap with arXiv:1406.377

Plasmons in topological insulator cylindrical nanowires

We present a theoretical analysis of Dirac magneto-plasmons in topological insulator nanowires. We discuss a cylindrical geometry where Berry phase effects induce the opening of a gap at the neutrality point. By taking into account surface electron wave functions introduced in previous papers and within the random phase approximation, we provide an analytical form of the dynamic structure factor. Dispersions and spectral weights of Dirac plasmons are studied with varying the radius of the cylinder, the surface doping, and the strength of an external magnetic field. We show that, at zero surface doping, inter-band damped plasmon-like excitations form at the surface and survive at low electron surface dopings ($\sim 10^{10} cm^{-2}$). Then, we point out that the plasmon excitations are sensitive to the Berry phase gap closure when an external magnetic field close to half quantum flux is introduced. Indeed, a well-defined magneto-plasmon peak is observed at lower energies upon the application of the magnetic field. Finally, the increase of the surface doping induces a crossover from damped inter-band to sharp intra-band magneto-plasmons which, as expected for large radii and dopings ($\sim 10^{12} cm^{-2}$), approach the proper limit of a two-dimensional surface.Comment: 18 pages, 11 figures, 2 Appendice

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.Comment: 15 pages, 11 figures, 2 Appendice

Stochastic dynamics for a single vibrational mode in molecular junctions

We propose a very accurate computational scheme for the dynamics of a classical oscillator coupled to a molecular junction driven by a finite bias, including the finite mass effect. We focus on two minimal models for the molecular junction: Anderson-Holstein (AH) and two-site Su-Schrieffer-Heeger (SSH) models. As concerns the oscillator dynamics, we are able to recover a Langevin equation confirming what found by other authors with different approaches and assessing that quantum effects come from the electronic subsystem only. Solving numerically the stochastic equation, we study the position and velocity distribution probabilities of the oscillator and the electronic transport properties at arbitrary values of electron-oscillator interaction, gate and bias voltages. The range of validity of the adiabatic approximation is established in a systematic way by analyzing the behaviour of the kinetic energy of the oscillator. Due to the dynamical fluctuations, at intermediate bias voltages, the velocity distributions deviate from a gaussian shape and the average kinetic energy shows a non monotonic behaviour. In this same regime of parameters, the dynamical effects favour the conduction far from electronic resonances where small currents are observed in the infinite mass approximation. These effects are enhanced in the two-site SSH model due to the presence of the intermolecular hopping t. Remarkably, for sufficiently large hopping with respect to tunneling on the molecule, small interaction strengths and at intermediate bias (non gaussian regime), we point out a correspondence between the minima of the kinetic energy and the maxima of the dynamical conductance.Comment: 19 pages, 16 figures, submitted to Physical Review

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.Comment: 8 pages, 7 figure

Exact Diagonalization Dynamical Mean Field Theory for Multi-Band Materials: Effect of Coulomb correlations on the Fermi surface of Na_0.3CoO_2

Dynamical mean field theory combined with finite-temperature exact diagonalization is shown to be a suitable method to study local Coulomb correlations in realistic multi-band materials. By making use of the sparseness of the impurity Hamiltonian, exact eigenstates can be evaluated for significantly larger clusters than in schemes based on full diagonalization. Since finite-size effects are greatly reduced this approach allows the study of three-band systems down to very low temperatures, for strong local Coulomb interactions and full Hund exchange. It is also shown that exact diagonalization yields smooth subband quasi-particle spectra and self-energies at real frequencies. As a first application the correlation induced charge transfer between t2g bands in Na_0.3CoO_2 is investigated. For both Hund and Ising exchange the small eg' Fermi surface hole pockets are found to be slightly enlarged compared to the non-interacting limit, in agreement with previous Quantum Monte Carlo dynamical mean field calculations for Ising exchange, but in conflict with photoemission data.Comment: 9 pages, 7 figure

Spectral properties and infrared absorption in manganites

Within a recently proposed variational approach it has been shown that, in $La_{1-x}A_xMnO_3$ perovskites with $0<x<0.5$, near the metal-insulator transition, the combined effect of the magnetic and electron-phonon interactions pushes the system toward a regime of two coexisting phases: a low electron density one made by itinerant large polarons forming ferromagnetic domains and a high electron density one made by localized small polarons giving rise to paramagnetic or antiferromagnetic domains depending on temperature. Employing the above-mentioned variational scheme, in this paper spectral and optical properties of manganites are derived for $x=0.3$ at different temperatures. It is found that the phase separation regime induces a robust pseudogap in the excitation spectrum of the system. Then the conductivity spectra are characterized by a transfer of spectral weight from high to low energies, as the temperature $T$ decreases. In the metallic ferromagnetic phase, at low $T$ two types of infrared absorption come out: a Drude term and a broad absorption band due respectively to the coherent and incoherent motion of large polarons. The obtained results turn out in good agreement with experiments.Comment: 9 figure