Charge dynamics in half-filled Hubbard chains with finite on-site interaction

We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion U at half-filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison with the exact spectrum of the model. The evolution of the line shape as a function of U is explained in terms of a relative transfer of spectral weight between the two-holon continuum that dominates in the limit U -> infinity and a subset of the two-holon-two-spinon continuum that reconstructs the electron-hole continuum in the limit U -> 0. Power-law singularities along boundary lines of the spectrum are described by effective impurity models that are explicitly invariant under spin and eta-spin SU(2) rotations. The Mott-Hubbard metal-insulator transition is reflected in a discontinuous change of the exponents of edge singularities at U = 0. The sharp feature observed in the spectrum for momenta near the zone boundary is attributed to a van Hove singularity that persists as a consequence of integrability.

Magnetic field induced charge redistribution in artificially disordered quantum Hall superlattices

The photoluminescence from individual quantum wells of artificially disordered weakly coupled multi-layers embedded in wide AlGaAs parabolic wells was investigated in a strong magnetic field. We show that the response of the individual wells is very different from the average response of the multi-layers studied by transport measurements and that photoluminescence represents a local probe of the quantum Hall state formed in three-dimensional electron system. The observed magnetic field induced variations of the in-layer electron density demonstrate the formation of a new phase in the quasi-three-dimensional electron system. The sudden change in the local electron density found at the Landau filling factor nu = 1 by both the magneto-transport and the magneto-photoluminescence measurements was assigned to the quantum phase transition. Copyright (C) EPLA, 2012

Triboelectricity: Macroscopic Charge Patterns Formed by Self-Arraying Ions on Polymer Surfaces

Tribocharged polymers display macroscopically patterned positive and negative domains, verifying the fractal geometry of electrostatic mosaics previously detected by electric probe microscopy. Excess charge on contacting polyethylene (PE) and polytetrafluoroethylene (PTFE) follows the triboelectric series but with one caveat: net charge is the arithmetic sum of patterned positive and negative charges, as opposed to the usual assumption of uniform but opposite signal charging on each surface. Extraction with n-hexane preferentially removes positive charges from PTFE, while 1,1-difluoroethane and ethanol largely remove both positive and negative charges. Using suitable analytical techniques (electron energy-loss spectral imaging, infrared microspectrophotometry and carbonization/colorimetry) and theoretical calculations, the positive species were identified as hydrocarbocations and the negative species were identified as fluorocarbanions. A comprehensive model is presented for PTFE tribocharging with PE: mechanochemical chain homolytic rupture is followed by electron transfer from hydrocarbon free radicals to the more electronegative fluorocarbon radicals. Polymer ions self-assemble according to Flory-Huggins theory, thus forming the experimentally observed macroscopic patterns. These results show that tribocharging can only be understood by considering the complex chemical events triggered by mechanical action, coupled to well-established physicochemical concepts. Patterned polymers can be cut and mounted to make macroscopic electrets and multipoles.

Efficiency of extrinsic and intrinsic charge-carrier photogeneration processes obtained from the steady-state photocurrent action spectra of poly(p-phenylene vinylene) derivatives

The efficiency of the charge-carrier photogeneration processes in poly(2,5-bis(3',7'-dimethyl-octyloxy)-1,4-phenylene vinylene) (OC(1)OC10-PPV) has been analyzed by the spectral response of the photocurrent of devices in ITO/polymer/Al structures. The symbatic response of the photocurrent action spectra of the OC1OC10-PPV devices, obtained for light-excitation through the ITO electrode and for forward bias, has been fitted using a phenomenological model which considers that the predominant transport mechanism under external applied electric field is the drift of photogenerated charge-carriers, neglecting charge-carrier diffusion. The proposed model takes into account that charge-carrier photogeneration occurs via intermediate stages of bounded pairs (excitonic states), followed by dissociation processes. Such processes result in two different contributions to the photoconductivity: The first one, associated to direct creation of unbound polaron pairs due to intrinsic photoionization; and the second one is associated to secondary processes like extrinsic photoinjection at the metallic electrodes. The results obtained from the model have shown that the intrinsic component of the photoconductivity at higher excitation energies has a considerably higher efficiency than the extrinsic one, suggesting a dependence on the photon energy for the efficiency of the photogeneration process.

Study of the Influence of Localized Vibrational Modes in Charge Transport Properties at Nanoscale Systems.

In molecular and atomic devices the interaction between electrons and ionic vibrations has an important role in electronic transport. The electron-phonon coupling can cause the loss of the electron's phase coherence, the opening of new conductance channels and the suppression of purely elastic ones. From the technological viewpoint phonons might restrict the efficiency of electronic devices by energy dissipation, causing heating, power loss and instability. The state of the art in electron transport calculations consists in combining ab initio calculations via Density Functional Theory (DFT) with Non-Equilibrium Green's Function formalism (NEGF). In order to include electron-phonon interactions, one needs in principle to include a self-energy scattering term in the open system Hamiltonian which takes into account the effect of the phonons over the electrons and vice versa. Nevertheless this term could be obtained approximately by perturbative methods. In the First Born Approximation one considers only the first order terms of the electronic Green's function expansion. In the Self-Consistent Born Approximation, the interaction self-energy is calculated with the perturbed electronic Green's function in a self-consistent way. In this work we describe how to incorporate the electron-phonon interaction to the SMEAGOL program (Spin and Molecular Electronics in Atomically Generated Orbital Landscapes), an ab initio code for electronic transport based on the combination of DFT + NEGF. This provides a tool for calculating the transport properties of materials' specific system, particularly in molecular electronics. Preliminary results will be presented, showing the effects produced by considering the electron-phonon interaction in nanoscale devices.

Nonlocal asymmetric exclusion process on a ring and conformal invariance

We present a one-dimensional nonlocal hopping model with exclusion on a ring. The model is related to the Raise and Peel growth model. A nonnegative parameter u controls the ratio of the local backwards and nonlocal forwards hopping rates. The phase diagram, and consequently the values of the current, depend on u and the density of particles. In the special case of half-lling and u = 1 the system is conformal invariant and an exact value of the current for any size L of the system is conjectured and checked for large lattice sizes in Monte Carlo simulations. For u > 1 the current has a non-analytic dependence on the density when the latter approaches the half-lling value.

Order induced charge carrier mobility enhancement in columnar liquid crystal diodes

Discotic molecules comprising a rigid aromatic core and flexible side chains have been promisingly applied in OLEDs as self-organizing organic semiconductors. Due to their potentially high charge carrier mobility along the columns, device performance can be readily improved by proper alignment of columns throughout the bulk. In the present work, the charge mobility was increased by 5 orders of magnitude due to homeotropic columnar ordering induced by the boundary interfaces during thermal annealing in the mesophase. State-of-the-art diodes were fabricated using spin-coated films whose homeotropic alignment with formation of hexagonal germs was observed by polarizing optical microscopy. The photophysical properties showed drastic changes at the mesophase-isotropic transition, which is supported by the gain of order observed by X-ray diffraction. The electrical properties were investigated by modeling the current−voltage characteristics by a space-charge-limited current transport with a field dependent mobility.

Molecular origin of charge traps in polyfluorene-based semiconductors

The comprehensive control of morphology and structure is of extreme importance in semiconducting polymers when used as active layers in optoelectronic devices. In the work reported here, a systematic investigation of the structural and dynamical properties of poly(9,9-di-n-octyl-fluorene-alt-benzothiadiazole), known as F8BT, and their correlation with electrical properties is presented when the material is used as an active layer in optoelectronic devices. By means of X-ray diffraction, one observes that in thick layer films (thickness of about 4 μm) grown by drop-cast deposition, a solvent induced crystalline phase exists which evolves to a stable phase as the temperature is raised. This was not observed in thin films (thickness of about 250 nm) prepared by spin-coating within the investigated temperature range. By modeling the current-voltages characteristics of both thick and thin film devices, important information on the influence of crystallization on the trapping states could be drawn. Furthermore, the temperature dependence of the charge carrier mobility was found to be closely related to that of the molecular relaxation processes. The understanding of the nature of such molecular relaxations, measured by solid-state nuclear magnetic resonance methods, allows one to understand the importance of molecular relaxations and microstructure changes on the trap states of the system.

A scale-space aproach to nonlocal optical flow calculations

[EN] This paper presents an interpretation of a classic optical flow method by Nagel and Enkelmann as a tensor-driven anisotropic diffusion approach in digital image analysis. We introduce an improvement into the model formulation, and we establish well-posedness results for the resulting system of parabolic partial differential equations. Our method avoids linearizations in the optical flow constraint, and it can recover displacement fields which are far beyond the typical one-pixel limits that are characteristic for many differential methods for optical flow recovery. A robust numerical scheme is presented in detail. We avoid convergence to irrelevant local minima by embedding our method into a linear scale-space framework and using a focusing strategy from coarse to fine scales. The high accuracy of the proposed method is demonstrated by means of a synthetic and a real-world image sequence.

Nuclear moments and differences in mean square charge radii of short-lived neon isotopes by collinear laser spectroscopy

Kernmomente und Kernladungsradien von kurzlebigen NeonIsotopen in der Kette 17-26,28Ne wurden mittels kollinearerLaserspektroskopie am online Massenseparator ISOLDE am CERN(Genf) vermessen. Bei kollinearer Laserspektroskopieverlangt die Bestimmung der Kernladungsradien leichterIsotope aus der Isotopeverschiebung nach einer sehr präzisenKenntnis der Ionenstrahlenergie. Zu diesem Zweck wurde eineneue, auf kollinearer Laserspektroskopie basierende Methodezur Strahlenergiemessung entwickelt und erfolgreich in denExperimenten zu Neon eingesetzt. Die experimentellenErgebnisse werden mit theoretischen Rechnungen im Rahmen desSchalenmodells und von kollektiven Kernmodellen verglichen.

Complexes of polyelectrolytes with defined charge distance and different dendrimer counterions

Complexes of polyelectrolytes with defined charge distance and different dendrimer counterions Magdalena Chelmecka Max Planck Institute for Polymer Research; Ackermannweg 10; D-55128 Mainz ; Tel.: (+49) 06131- 379 – 226 A study of complexes in solution is of interest to investigate whether the formation of well-defined assemblies like in classical surfactant systems is possible. Aim of this thesis is to investigate the electrostatic self-assembly of linear polycations of varying charge distance with “large” counterions of varying architecture. We especially investigate the morphology of objects formed, but also their stability under salt free condition and after low molecular mass salt addition. As polycations, Poly(dialkylimino)-alkylene salts (Ionenes) I65MeBr and I25MeBr were chosen. Ionenes are synthesized via Menschutkin reaction and characterized by standard methods. Counterions are Polyamidoamine (PAMAM) dendrimers of generations G2.5, G5.5, G7.5 with -COONa surface groups and shape-persistent, Polyphenylene dendrimers of generation G1 with surface -COOH groups. A complex interplay of interactions is expected to direct the self assembly via electrostatic interaction, geometric factors, hydrophobic interaction or hydrogen bonds. Methods used for the investigation of complexes are: UV-spectroscopy, pH-metric techniques, dynamic and static light scattering, small angle neutron scattering,  potential measurements and potentiometric titration. Under certain conditions, (i.e. charge ratio of compounds, charge density of ionene and dendrimer also concentration of sample) polyelectrolyte systems composed of ionenes and dendrimers build complexes in solution. System compounds are typical polyelectrolytes, but structures which they build behave not usual for typical polyelectrolytes. In a one diffusion mode regime aggregates of about 100 nm hydrodynamic radius have been found. Such aggregates are core-shell or anisotropic core shell structures in the case of ionenes/PAMAM dendrimers complexes. These complexes are stable even at high ionic strength. In case of ionenes with poly(phenylene) dendrimers, hard sphere-like objects or spherical objects with hairy-like surface have been found in a one diffusion mode regime. Their stability at high ionic strength is lower. For the ionenes/poly(phenylene) dendrimers systems one transition point has been found from one to two diffusion processes, towards increasing ionene concentration, i.e. for the samples with fixed dendrimer concentration towards increasing ionic strength. For the diffusion profile of ionene/PAMAM dendrimers in most cases two transition regimes are observed. One at very low ionene concentration, the second one at high ionene concentrations, which again means for the samples with fixed dendrimer concentration, also at higher ionic strength. Both two mode regimes are separated by the one mode regime. As was confirmed experimentally, the one diffusion mode regime is caused by the motion of well defined assemblies. The two diffusion mode regimes are caused by the movement of different sized species in solution, large aggregates and middle-size aggregates (oligoaggregates). The location and also the number of transition points in the diffusion profiles is dependent on the ionene to dendrimer charge ratio, charge density of the compounds and concentration. No influence of the molecular mass of the ionene has been found. The aggregates are found to be charged on the surface, however this surface charge does not significantly influence the diffusion properties of the system.

Electronic energy transfer processes and charge carrier transport in pi-conjugated polymers

Conjugated polymers have attracted tremendous academical and industrial research interest over the past decades due to the appealing advantages that organic / polymeric materials offer for electronic applications and devices such as organic light emitting diodes (OLED), organic field effect transistors (OFET), organic solar cells (OSC), photodiodes and plastic lasers. The optimization of organic materials for applications in optoelectronic devices requires detailed knowledge of their photophysical properties, for instance energy levels of excited singlet and triplet states, excited state decay mechanisms and charge carrier mobilities. In the present work a variety of different conjugated (co)polymers, mainly polyspirobifluorene- and polyfluorene-type materials, was investigated using time-resolved photoluminescence spectroscopy in the picosecond to second time domain to study their elementary photophysical properties and to get a deeper insight into structure-property relationships. The experiments cover fluorescence spectroscopy using Streak Camera techniques as well as time-delayed gated detection techniques for the investigation of delayed fluorescence and phosphorescence. All measurements were performed on the solid state, i.e. thin polymer films and on diluted solutions. Starting from the elementary photophysical properties of conjugated polymers the experiments were extended to studies of singlet and triplet energy transfer processes in polymer blends, polymer-triplet emitter blends and copolymers. The phenomenon of photonenergy upconversion was investigated in blue light-emitting polymer matrices doped with metallated porphyrin derivatives supposing an bimolecular annihilation upconversion mechanism which could be experimentally verified on a series of copolymers. This mechanism allows for more efficient photonenergy upconversion than previously reported for polyfluorene derivatives. In addition to the above described spectroscopical experiments, amplified spontaneous emission (ASE) in thin film polymer waveguides was studied employing a fully-arylated poly(indenofluorene) as the gain medium. It was found that the material exhibits a very low threshold value for amplification of blue light combined with an excellent oxidative stability, which makes it interesting as active material for organic solid state lasers. Apart from spectroscopical experiments, transient photocurrent measurements on conjugated polymers were performed as well to elucidate the charge carrier mobility in the solid state, which is an important material parameter for device applications. A modified time-of-flight (TOF) technique using a charge carrier generation layer allowed to study hole transport in a series of spirobifluorene copolymers to unravel the structure-mobility relationship by comparison with the homopolymer. Not only the charge carrier mobility could be determined for the series of polymers but also field- and temperature-dependent measurements analyzed in the framework of the Gaussian disorder model showed that results coincide very well with the predictions of the model. Thus, the validity of the disorder concept for charge carrier transport in amorphous glassy materials could be verified for the investigated series of copolymers.

Nuclear charge radius of the halo nucleus lithium-11

Nuclear charge radii of short-lived isotopes can be probed in a nuclear-model independent way via isotope shift measurements. For this purpose a novel technique was developed at GSI, Darmstadt. It combines two-photon laser spectroscopy in the 2s-3s electronic transition of lithium, resonance ionization, and detection via quadrupole mass spectrometry. In this way an accuracy of 5e-5 which is necessary for the extraction of nuclear charge radii, and an overall detection efficiency of 1e-4 is reached. This allowed an isotope shift measurement of Li-11 for the first time at the TRIUMF facility in Vancouver. Additionally, uncertainties in the isotope shift for all other lithium isotopes were reduced by about a factor of four compared to previous measurements at GSI. Results were combined with recent theoretical mass shift calculations in three-electron systems and root-mean-square nuclear charge radii of all lithium isotopes, particulary of the two-neutron halo nucleus Li-11, were determined. Obtained charge radii decrease continuously from Li-6 to Li-9, while a strong increase between Li-9 and Li-11 is observed. This is compared to predictions of various nuclear models and it is found that a multicluster model gives the best overall agreement. Within this model, the increase in charge radius between Li-9 and Li-11is to a large extend caused by intrinsic excitation of the Li-9-like core while the neutron-halo correlation contributes only to a small extend.

Reverse Charge nell'Iva comunitaria

Oggetto della tesi è il reverse charge, ovvero inversione contabile, che rappresenta un particolare metodo impositivo dell’Iva, derogatorio rispetto a quello tipico ed ordinariamente applicabile. L’imposta sul valore aggiunto è un’imposta plurifase, non cumulativa, basata sulle figure della rivalsa e della detrazione, attraverso la cui combinazione viene garantita la neutralità tipica di tale tributo, affinché l’onere conclusivamente sopportato dal consumatore finale non venga condizionato dal numero degli stadi di lavorazione di cui consta un eventuale ciclo produttivo. Il reverse charge deroga al citato meccanismo impositivo in quanto, nelle operazioni in cui tale sistema trova applicazione, il fornitore o il prestatore non addebitano alcuna imposta in via di rivalsa al cessionario o al committente, ed il debito Iva generato dall’operazione da loro posta in essere viene assolto direttamente, e contrariamente a quanto dovrebbe accadere, dal cessionario o dal committente. La tesi offre sostanzialmente una riflessione ampia e generalizzata di tale particolare metodo impositivo, al fine di individuarne i tratti caratteristici, e verificare come detto metodo impositivo, comunque derogatorio, si ponga nell’ambito del sistema ordinario dell’Iva, e quale incidenza abbia rispetto alla finalità ultima e peculiare del tributo, ossia la tassazione del consumo finale, mediante un sistema impositivo che risulti neutrale per gli operatori commerciali, e quindi per i soggetti passivi d’imposta.

Measurement of the atmospheric muon charge ratio with the OPERA detector

The atmospheric muon charge ratio, defined as the number of positive over negative charged muons, is an interesting quantity for the study of high energy hadronic interactions in atmosphere and the nature of the primary cosmic rays. The measurement of the charge ratio in the TeV muon energy range allows to study the hadronic interactions in kinematic regions not yet explored at accelerators. The OPERA experiment is a hybrid electronic detector/emulsion apparatus, located in the underground Gran Sasso Laboratory, at an average depth of 3800 meters water equivalent (m.w.e.). OPERA is the first large magnetized detector that can measure the muon charge ratio at the LNGS depth, with a wide acceptance for cosmic ray muons coming from above. In this thesis, the muon charge ratio is measured using the spectrometers of the OPERA detector in the highest energy region. The charge ratio was computed separately for single and for multiple muon events, in order to select different primary cosmic ray samples in energy and composition. The measurement as a function of the surface muon energy is used to infer parameters characterizing the particle production in atmosphere, that will be used to constrain Monte Carlo predictions. Finally, the experimental results are interpreted in terms of cosmic ray and particle physics models.