Phonon-affected steady-state transport through molecular quantum dots

We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the quantum dot for all ratios of the dot-lead coupling to the energy of the local phonon mode. We show that the polaronic renormalization of the dot-lead coupling is a possible mechanism for negative differential conductance. Moreover, the effective dot level follows one of the lead chemical potentials to enhance resonant transport, causing novel features in the inelastic tunneling signal. In the linear response regime, we investigate the impact of the electron-phonon interaction on the thermoelectrical properties of the quantum dot device.Comment: 11 pages, 7 figures, FQMT11 Proceeding

Phonon affected transport through molecular quantum dots

To describe the interaction of molecular vibrations with electrons at a quantum dot contacted to metallic leads, we extend an analytical approach that we previously developed for the many-polaron problem. Our scheme is based on an incomplete variational Lang-Firsov transformation, combined with a perturbative calculation of the electron-phonon self-energy in the framework of generalised Matsubara functions. This allows us to describe the system at weak to strong coupling and intermediate to large phonon frequencies. We present results for the quantum dot spectral function and for the kinetic coefficient that characterises the electron transport through the dot. With these results we critically examine the strengths and limitations of our approach, and discuss the properties of the molecular quantum dot in the context of polaron physics. We place particular emphasis on the importance of corrections to the concept of an antiadiabatic dot polaron suggested by the complete Lang-Firsov transformation.Comment: 30 pages, 15 figures, revised version including new figure

Uniform electron gases

We show that the traditional concept of the uniform electron gas (UEG) --- a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume --- is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, \textit{viz.} the usual one-electron density parameter $\rho$ and a new two-electron parameter $\eta$. We outline a systematic strategy to determine a new density functional $E(\rho,\eta)$ across the spectrum of possible $\rho$ and $\eta$ values.Comment: 8 pages, 2 figures, 5 table

Ultracold Electron Source

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An ultrashort pulse ultra-violet radiation undulator source driven by a laser plasma wakefield accelerator

Narrow band undulator radiation tuneable over the wavelength range of 150–260 nm has been produced by short electron bunches from a 2 mm long laser plasma wakefield accelerator based on a 20 TW femtosecond laser system. The number of photons measured is up to 9 × 106 per shot for a 100 period undulator, with a mean peak brilliance of 1 × 1018 photons/s/mrad2/mm2/0.1% bandwidth. Simulations estimate that the driving electron bunch r.m.s. duration is as short as 3 fs when the electron beam has energy of 120–130 MeV with the radiation pulse duration in the range of 50–100 fs

Investigation of the feasibility to use Zeeman-effect background correction for the graphite furnace determination of phosphorus using high-resolution continuum source atomic absorption spectrometry as a diagnostic tool

The determination of phosphorus by graphite furnace atomic absorption spectrometry at the non-resonance line at 213.6 nm, and the capability of Zeeman-effect background correction (Z-BC) to deal with the fine-structured background absorption due to the PO molecule have been investigated in the presence of selected chemical modifiers. Two line source atomic absorption spectrometers, one with a longitudinally heated and the other with a transversely heated graphite tube atomizer have been used in this study, as well as two prototype high-resolution continuum source atomic absorption spectrometers, one of which had a longitudinally arranged magnet at the furnace. It has been found that Z-BC is capable correcting very well the background caused by the PO molecule, and also that of the NO molecule, which has been encountered when the Pd + Ca mixed modifier was used. Both spectra exhibited some Zeeman splitting, which, however, did not cause any artifacts or correction errors. The practical significance of this study is to confirm that accurate results can be obtained for the determination of phosphorus using Z-BC. The best sensitivity with a characteristic mass of m(0) = 11 ng P has been obtained with the pure Pd modifier, which also caused the lowest background level. The characteristic mass obtained with the mixed Pd + Ca modifier depended on the equipment used and was between m(0) = 9 ng P and m(0) = 15 ng P, and the background signal was higher. The major problem of Z-BC remains the relatively restricted linear working range

The Generalised Zakharov-Shabat System and the Gauge Group Action

The generalized Zakharov-Shabat systems with complex-valued non-regular Cartan elements and the systems studied by Caudrey, Beals and Coifman (CBC systems) and their gauge equivalent are studied. This study includes: the properties of fundamental analytical solutions (FAS) for the gauge-equivalent to CBC systems and the minimal set of scattering data; the description of the class of nonlinear evolutionary equations, solvable by the inverse scattering method, and the recursion operator, related to such systems; the hierarchies of Hamiltonian structures. The results are illustrated on the example of the multi-component nonlinear Schrodinger (MNLS) equations and the corresponding gauge-equivalent multi-component Heisenberg ferromagnetic (MHF) type models, related to so(5;C) algebra.Comment: 17 pages, 1 figure, LaTeX. arXiv admin note: substantial text overlap with arXiv:0710.330

Unconstrained SU(2) Yang-Mills Quantum Mechanics with Theta Angle

The unconstrained classical system equivalent to spatially homogeneous SU(2) Yang-Mills theory with theta angle is obtained and canonically quantized. The Schr\"odinger eigenvalue problem is solved approximately for the low lying states using variational calculation. The properties of the groundstate are discussed, in particular its electric and magnetic properties, and the value of the "gluon condensate" is calculated. Furthermore it is shown that the energy spectrum of SU(2) Yang-Mills quantum mechanics is independent of the theta angle. Explicit evaluation of the Witten formula for the topological susceptibility gives strong support for the consistency of the variational results obtained.Comment: 20 pages REVTEX, no figures, one reference added, final version to appear in Phys. Rev.

Triplet Exciton Generation in Bulk-Heterojunction Solar Cells based on Endohedral Fullerenes

Organic bulk-heterojunctions (BHJ) and solar cells containing the trimetallic nitride endohedral fullerene 1-[3-(2-ethyl)hexoxy carbonyl]propyl-1-phenyl-Lu3N@C80 (Lu3N@C80-PCBEH) show an open circuit voltage (VOC) 0.3 V higher than similar devices with [6,6]-phenyl-C[61]-butyric acid methyl ester (PC61BM). To fully exploit the potential of this acceptor molecule with respect to the power conversion efficiency (PCE) of solar cells, the short circuit current (JSC) should be improved to become competitive with the state of the art solar cells. Here, we address factors influencing the JSC in blends containing the high voltage absorber Lu3N@C80-PCBEH in view of both photogeneration but also transport and extraction of charge carriers. We apply optical, charge carrier extraction, morphology, and spin-sensitive techniques. In blends containing Lu3N@C80-PCBEH, we found 2 times weaker photoluminescence quenching, remainders of interchain excitons, and, most remarkably, triplet excitons formed on the polymer chain, which were absent in the reference P3HT:PC61BM blends. We show that electron back transfer to the triplet state along with the lower exciton dissociation yield due to intramolecular charge transfer in Lu3N@C80-PCBEH are responsible for the reduced photocurrent

Dynamical Properties of small Polarons

On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyse the spectral properties of polaronic systems in view of discerning localized from itinerant polarons and bound polaron pairs from an ensemble of single polarons. The corresponding experimental techniques for that concern photoemission and inverse photoemission spectroscopy. The evolution of the density of states as a function of concentration of charge carriers and strength of the electron-phonon interaction clearly shows the opening up of a gap between single polaronic and bi-polaronic states, in analogy to the Hubbard problem for strongly correlated electron systems. The crossover regime between adiabatic and anti-adiabatic small polarons is triggered by two characteristic time scales: the renormalized electron hopping rate and the renormalized vibrational frequency becoming equal. This crossover regime is then characterized by temporarily alternating self- localization and delocalization of the charge carriers which is accompanied by phase slips in the charge and molecular deformation oscillations and ultimately leads to a dephasing between these two dynamical components of the polaron problem. We visualize these features by a study of the temporal evolution of the charge redistribution and the change in molecular deformations. The spectral and dynamical properties of polarons discussed here are beyond the applicability of the standard Lang Firsov approach to the polaron problem.Comment: 31 pages and 23 figs.(eps), accepted in the Phys. Rev.