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We consider a doped Mott insulator in the large dimensionality limit within both the recently developed Extremely Correlated Fermi Liquid (ECFL) theory and the Dynamical Mean-Field Theory (DMFT). We show that the general structure of the ECFL sheds light on the rich frequency-dependence of the DMFT self-energy. Using the leading Fermi-liquid form of the two key auxiliary functions introduced in the ECFL theory, we obtain an analytical ansatz which provides a good quantitative description of the DMFT self-energy down to hole doping level 0.2. In particular, the deviation from Fermi-liquid behavior and the corresponding particle-hole asymmetry developing at a low energy scale are well reproduced by this ansatz. The DMFT being exact at large dimensionality, our study also provides a benchmark of the ECFL in this limit. We find that the main features of the self-energy and spectral line-shape are well reproduced by the ECFL calculations in the O(\lambda^2) `minimal scheme', for not too low doping level >0.3. The DMFT calculations reported here are performed using a state-of-the-art numerical renormalization-group impurity solver, which yields accurate results down to an unprecedentedly small doping level 0.001., Comment: 21 pages, 18 figures

Recent angular-resolved photoemission experiments on LaNiO$_3$ reported a renormalization of the Fermi velocity of $e_g$ quasiparticles, a kink in their dispersion at $ -0.2$ eV and a large broadening and weakened dispersion of the occupied $t_{2g}$ states. We show here that all these features result from electronic correlations and are quantitatively reproduced by calculations combining density-functional theory and dynamical mean-field theory. The importance and general relevance of correlation effects in filled bands coupled by inter-orbital interactions to a partially-filled band are pointed out., Comment: 5 pages, 5 figures

We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group (NRG) predicts an underscreened Kondo state with residual spin-1/2 magnetic moment, ln 2 residual impurity entropy, and unitary conductance, while the Bethe Ansatz (BA) solution predicts a fully screened impurity, regular Fermi-liquid ground state, and zero conductance. We calculate the impurity entropy of the system as a function of the temperature using the hybridization-expansion continuous-time quantum Monte Carlo technique, which is a numerically exact stochastic method, and find excellent agreement with the NRG results. We show that the origin of the unconventional behavior in this model is the odd-symmetry "dark state" on the dots., 5 pages, 4 figures

We investigate transport in strongly correlated metals. Within dynamical mean-field theory, we calculate the resistivity, thermopower, optical conductivity and thermodynamic properties of a hole-doped Mott insulator. Two well-separated temperature scales are identified: T_FL below which Landau Fermi liquid behavior applies, and T_MIR above which the resistivity exceeds the Mott-Ioffe-Regel value and `bad-metal' behavior is found. We show that quasiparticle excitations remain well-defined above T_FL and dominate transport throughout the intermediate regime T_FL < T_MIR. The lifetime of these `resilient quasiparticles' is longer for electron-like excitations, and this pronounced particle-hole asymmetry has important consequences for the thermopower. The crossover into the bad-metal regime corresponds to the disappearance of these excitations, and has clear signatures in optical spectroscopy., 5 pages + 4 supplementary pages; published version

Using analytical arguments and the numerical renormalization group method we investigate the spin-thermopower of a quantum dot in a magnetic field. In the particle-hole symmetric situation the temperature difference applied across the dot drives a pure spin current without accompanying charge current. For temperatures and fields at or above the Kondo temperature, but of the same order of magnitude, the spin-Seebeck coefficient is large, of the order of k_B/e. Via a mapping, we relate the spin-Seebeck coefficient to the charge-Seebeck coefficient of a negative-U quantum dot where the corresponding result was recently reported by Andergassen et al. in Phys. Rev. B 84, 241107 (2011). For several regimes we provide simplified analytical expressions. In the Kondo regime, the dependence of the spin-Seebeck coefficient on the temperature and the magnetic field is explained in terms of the shift of the Kondo resonance due to the field and its broadening with the temperature and the field. We also consider the influence of breaking the particle-hole symmetry and show that a pure spin current can still be realized provided a suitable electric voltage is applied across the dot. Then, except for large asymmetries, the behavior of the spin-Seebeck coefficient remains similar to that found in the particle-hole symmetric point., 11 pages, 7 figures. Final version

We investigate the origin of the high Neel temperature recently found in Tc perovskites. The electronic structure in the magnetic state of SrTcO3 and its 3d analogue SrMnO3 is calculated within a framework combining band-structure and many-body methods. In agreement with experiment, the Neel temperature of SrTcO3 is found to be four times larger than that of SrMnO3. We show that this is because the Tc-compound lies on the verge of the itinerant-to-localized transition, and also has a larger bandwidth, while the Mn-compound lies deeper into the localized side. For SrTcO3 we predict that the Neel temperature depends weakly on applied pressure, in clear violation of Bloch's rule, signaling the complete breakdown of the localized picture., Comment: 4+ pages, 3 figures, published version

We show that in multi-band metals the correlations are strongly affected by the Hund's rule coupling, which depending on the filling promotes metallic, insulating or bad-metallic behavior. The quasiparticle coherence and the proximity to a Mott insulator are influenced distinctly and, away from single- and half-filling, in opposite ways. A strongly correlated bad-metal far from a Mott phase is found there. We propose a concise classification of 3d and 4d transition-metal oxides within which the ubiquitous occurrence of strong correlations in Ru- and Cr-based oxides, as well as the recently measured high N\'eel temperatures in Tc-based perovskites are naturally explained., Comment: 4 pages + supplementary material

We calculate the electronic structure of ${\mathrm{Sr}}_{2}{\mathrm{RuO}}_{4}$, treating correlations within dynamical mean-field theory. The approach successfully reproduces several experimental results and explains the key properties of this material: the anisotropic mass renormalization of quasiparticles and the crossover into an incoherent regime above a low temperature scale. While the orbital differentiation originates from the proximity of the van Hove singularity, strong correlations are caused by the Hund's coupling. The generality of this mechanism for other correlated materials is pointed out.

We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the coupling occurs between the molecular deformation and the charge density, and (ii) the oscillations of molecule between the contacts, where the displacement affects the tunneling. The system is described by models which are solved numerically using Schonhammer-Gunnarsson’s projection operators and Wilson’s numerical renormalization group methods.

We investigate the electronic transport through a molecule in the Kondo regime. The tunneling between the electrode and the molecule is asymmetrically modulated by the oscillations of the molecule, i.e., if the molecule gets closer to one of the electrodes the tunneling to that electrode will increase while for the other electrode it will decrease. The system is described by a two-channel Anderson model with phonon-assisted hybridization, which is solved with the Wilson numerical renormalization group method. The results for several functional forms of tunneling modulation are presented. For a linearized modulation the Kondo screening of the molecular spin is caused by the even or odd conduction channel. At the critical value of the electron-phonon coupling an unstable two-channel Kondo fixed point is found. For a realistic modulation the spin at the molecular orbital is Kondo screened by the even conduction channel even in the regime of strong coupling. A universal consequence of the electron-phonon coupling is the softening of the phonon mode and the related instability to perturbations that break the left-right symmetry. When the frequency of oscillations decreases below the magnitude of such perturbation, the molecule is abruptly attracted to one of the electrodes. In this regime, the Kondo temperature is enhanced and, simultaneously, the conductance through the molecule is suppressed., Comment: published version

We calculate characteristic correlation functions for the Anderson model with additional phonon-assisted coupling to the odd conduction channel. This model describes, for example, the behavior of a molecule embedded between two electrodes in linear transport experiments where the position of the molecule with respect to the leads affects the tunneling amplitudes. We use variational projection-operator method and numerical renormalization group (NRG) method. The spin is Kondo screened either by even or odd conduction channel depending on the gate voltage and electron-phonon coupling. However, in all regimes the gate-voltage dependence of the zero temperature conductance is found to be qualitatively the same as in the model with no coupling to the vibrational mode., 2 pages, 3 figures, to be presented on "The International Conference on Strongly Correlated Electron Systems" SCES'07, May 13-18, Houston, USA

We investigate serial double quantum dot systems with on-site and inter-site interaction by means of Sch\"onhammer-Gunnarsson projection-operator method. The ground state is established by the competition between extended Kondo phases and localized singlet phases in spi$ degrees of freedom. We present and discuss different phases, as discerned by characteristic correlation functions. We discuss also how different phases would be seen in linear transport measurements., Comment: 5 pages, 2 figures, presented on "XI Training Course in the Physics of Strongly Correlated Systems", Vietri sul Mare, Salerno, Italy

We investigate the competition between pair entanglement of two spin qubits in double quantum dots attached to leads with various topologies and the separate entanglement of each spin with nearby electrodes. Universal behavior of entanglement is demonstrated in dependence on the mutual interactions between the spin qubits, the coupling to their environment, temperature and magnetic field. As a consequence of quantum phase transition an abrupt switch between fully entangled and unentangled states takes place when the dots are coupled in parallel., Comment: 3 figures

We investigate a symmetrical double quantum dot system serially attached to the leads. The emphasis is on the numerical analysis of finite inter-dot tunneling in the presence of inter-dot repulsive capacitive coupling. The results reveal the competition between extended Kondo phases and local singlet phases in spin and charge degrees of freedom. The corresponding phase diagram is determined quantitatively., 4 pages, 4 figures

We calculate the zero temperature conductance and characteristic correlation functions of a molecule with a center of mass (CM) motion which modulates couplings to the leads. In the first model studied, the CM vibrational mode is simultaneously coupled to the electron density on the molecule. The conductance is suppressed in regimes corresponding to non-integer occupancy of the molecule. In the second model, where the CM mode is not directly coupled to the electron density, the suppression of conductance is related to the dynamic breaking of the inversion symmetry., Comment: to appear in Phys. Rev. B

Zero temperature linear response conductance of molecules with Coulomb interaction and with various types of phonon modes is analysed together with local occupation, local moment, charge fluctuations and fluctuations of molecular deformation. Deformation fluctuations are quantitatively related to charge fluctuations which exhibit similarity also to static charge susceptibility., Comment: 4 pages, color figures

Entanglement of spins is analyzed for two electrons extracted from a mixed many electron state by projecting onto the two-electron subspace. The concurrence formulae are expressed in a compact form for states with a well defined square of the total spin projection. As an example, the thermal entanglement for a qubit pair with an anisotropic Heisenberg and the Dzyaloshinskii-Moriya interactions in an inhomogeneous magnetic field is given analytically. Remarkably, the concurrence of a pair of electrons with antiparallel spins and in a delocalised orbital state is given by the scalar product of the state with its spin-flipped state and not with the time-reversed state.