Coulomb blockade and Kondo effect in the electronic structure of Hubbard molecules connected to metallic leads: a finite-temperature exact-diagonalization study

The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated by a small cluster, so that the problem is reduced to that of a finite-size system comprising the molecule and clusters on both sides. The Hamiltonian parameters of the lead clusters are chosen such that their embedding potentials coincide with those of the semi-infinite leads on Matsubara frequencies. Exact diagonalization is used to evaluate the effect of Coulomb correlations on the electronic properties of the molecule at finite temperature. Depending on key Hamiltonian parameters, such as Coulomb repulsion, one-electron hopping within the molecule, and hybridization between molecule and leads, the molecular self-energy is shown to exhibit Fermi-liquid behavior or deviations associated with finite low-energy scattering rates. The method is shown to be sufficiently accurate to describe the formation of Kondo resonances inside the correlation-induced pseudogaps, except in the limit of extremely low temperatures. These results demonstrate how the system can be tuned between the Coulomb blockade and Kondo regimes.Comment: 14 pages; 14 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

Quantum theory of electric polarization nonlinearity in metal nanofilms

We develop a quantum theory of electron confinement in metal nanofilms. The theory is used to compute the nonlinear response of the film to a static or low-frequency external electric field and to investigate the role of boundary conditions imposed on the metal surface. We find that the sign and magnitude of the nonlinear polarizability depends dramatically on the type of boundary condition used.Comment: Accepted to PRB in this for

Magnetization dynamics in dysprosium orthoferrites via inverse Faraday effect

The ultrafast non-thermal control of magnetization has recently become feasible in canted antiferromagnets through photomagnetic instantaneous pulses [A.V. Kimel {\it et al.}, Nature {\bf 435}, 655 (2005)]. In this experiment circularly polarized femtosecond laser pulses set up a strong magnetic field along the wave vector of the radiation through the inverse Faraday effect, thereby exciting non-thermally the spin dynamics of dysprosium orthoferrites. A theoretical study is performed by using a model for orthoferrites based on a general form of free energy whose parameters are extracted from experimental measurements. The magnetization dynamics is described by solving coupled sublattice Landau-Lifshitz-Gilbert equations whose damping term is associated with the scattering rate due to magnon-magnon interaction. Due to the inverse Faraday effect and the non-thermal excitation, the effect of the laser is simulated by magnetic field Gaussian pulses with temporal width of the order of hundred femtoseconds. When the field is along the z-axis, a single resonance mode of the magnetization is excited. The amplitude of the magnetization and out-of-phase behavior of the oscillations for fields in z and -z directions are in good agreement with the cited experiment. The analysis of the effect of the temperature shows that magnon-magnon scattering mechanism affects the decay of the oscillations on the picosecond scale. Finally, when the field pulse is along the x-axis, another mode is excited, as observed in experiments. In this case the comparison between theoretical and experimental results shows some discrepancies whose origin is related to the role played by anisotropies in orthoferrites.Comment: 10 pages, 6 figure

Variational approach to the scattering of charged particles by a many-electron system

We report a variational approach to the nonlinearly screened interaction of charged particles with a many-electron system. This approach has been developed by introducing a modification of the Schwinger variational principle of scattering theory, which allows to obtain nonperturbative scattering cross-sections of moving projectiles from the knowledge of the linear and quadratic density-response functions of the target. Our theory is illustrated with a calculation of the energy loss per unit path length of slow antiprotons moving in a uniform electron gas, which shows good agreement with a fully nonlinear self-consistent Hartree calculation. Since available self-consistent calculations are restricted to low heavy-projectile velocities, we expect our theory to have novel applications to a variety of processes where nonlinear screening plays an important role.Comment: 10 pages, 2 figures; Accepted to Physical Review

Experimental study exploring the factors that promote rib fragility in the elderly

Rib fractures represent a common injury type due to blunt chest trauma, affecting hospital stay and mortality especially in elderly patients. Factors promoting rib fragility, however, are little investigated. The purpose of this in vitro study was to explore potential determinants of human rib fragility in the elderly. 89 ribs from 13 human donors (55\u201399 years) were loaded in antero-posterior compression until fracture using a material testing machine, while surface strains were captured using a digital image correlation system. The effects of age, sex, bone mineral density, rib level and side, four global morphological factors (e.g. rib length), and seven rib cross-sectional morphological factors (e.g. cortical thickness, determined by \u3bcCT), on fracture load were statistically examined using Pearson correlation coefficients, Mann\u2013Whitney U test as well as Kruskal\u2013Wallis test with Dunn-Bonferroni post hoc correction. Fracture load showed significant dependencies (p < 0.05) from bone mineral density, age, antero-posterior rib length, cortical thickness, bone volume/tissue volume ratio, trabecular number, trabecular separation, and both cross-sectional area moments of inertia and was significantly higher at rib levels 7 and 8 compared to level 4 (p = 0.001/0.013), whereas side had no significant effect (p = 0.989). Cortical thickness exhibited the highest correlation with fracture load (r = 0.722), followed by the high correlation of fracture load with the area moment of inertia around the longitudinal rib cross-sectional axis (r = 0.687). High correlations with maximum external rib surface strain were detected for bone volume/tissue volume ratio (r = 0.631) and trabecular number (r = 0.648), which both also showed high correlations with the minimum internal rib surface strain (r = 12 0.644/ 12 0.559). Together with rib level, the determinants cortical thickness, area moment of inertia around the longitudinal rib cross-sectional axis, as well as bone mineral density exhibited the largest effects on human rib fragility with regard to the fracture load. Sex, rib cage side, and global morphology, in contrast, did not affect rib fragility in this study. When checking elderly patients for rib fractures due to blunt chest trauma, patients with low bone mineral density and the mid-thoracic area should be carefully examined

Photoemission Beyond the Sudden Approximation

The many-body theory of photoemission in solids is reviewed with emphasis on methods based on response theory. The classification of diagrams into loss and no-loss diagrams is discussed and related to Keldysh path-ordering book-keeping. Some new results on energy losses in valence-electron photoemission from free-electron-like metal surfaces are presented. A way to group diagrams is presented in which spectral intensities acquire a Golden-Rule-like form which guarantees positiveness. This way of regrouping should be useful also in other problems involving spectral intensities, such as the problem of improving the one-electron spectral function away from the quasiparticle peak.Comment: 18 pages, 11 figure

Design, Manufacture and Measurement of three Permanent Magnet Dipoles for FASER Experiment

FASER, the ForwArd Search ExpeRiment, is designed to search for new, yet undiscovered, light and weakly-interacting particles and study the interactions of high-energy neutrinos. Three dipoles, one 1.5 m-long and the other two 1.0 m-long each, installed upstream of the ATLAS experiment at CERN, are required to achieve sufficient separation of pairs of oppositely charged, high-energy Standard Model particles originating from decays of new physics particles. The dipoles have an aperture of 200 mm in diameter and a required magnetic field at the centre ≥ 0.55 T. Due to tight space constraints, a design based on permanent magnet technology was proposed. This paper describes the design, manufacturing, assembly and magnetic measurement of these large Halbach array dipoles