Renormalized parameters and perturbation theory for an n-channel Anderson model with Hund's rule coupling: Asymmetric case

We explore the predictions of the renormalized perturbation theory for an n-channel Anderson model, both with and without Hund's rule coupling, in the regime away from particle-hole symmetry. For the model with n=2 we deduce the renormalized parameters from numerical renormalization group calculations, and plot them as a function of the occupation at the impurity site, nd. From these we deduce the spin, orbital and charge susceptibilities, Wilson ratios and quasiparticle density of states at T=0, in the different parameter regimes, which gives a comprehensive overview of the low energy behavior of the model. We compare the difference in Kondo behaviors at the points where nd=1 and nd=2. One unexpected feature of the results is the suppression of the charge susceptibility in the strong correlation regime over the occupation number range 1 <nd <3.Comment: 9 pages, 17 figure

Orbital selective and tunable Kondo effect of magnetic adatoms on graphene: Correlated electronic structure calculations

We have studied the effect of dynamical correlations on the electronic structure of single Co adatoms on graphene monolayers with a recently developed novel method for nanoscopic materials that combines density functional calculations with a fully dynamical treatment of the strongly interacting 3d-electrons. The coupling of the Co 3d-shell to the graphene substrate and hence the dynamic correlations are strongly dependent on the orbital symmetry and the system parameters (temperature, distance of the adatom from the graphene sheet, gate voltage). When the Kondo effect takes place, we find that the dynamical correlations give rise to strongly temperature-dependent peaks in the Co 3d-spectra near the Fermi level. Moreover, we find that the Kondo effect can be tuned by the application of a gate voltage. It turns out that the position of the Kondo peaks is pinned to the Dirac points of graphene rather than to the chemical potential.Comment: 12 pages, 7 figure

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Variational approach to transport in quantum dots

We have derived a variational principle that defines the nonequilibrium steady-state transport across a correlated impurity mimicking, e.g., a quantum dot coupled to biased leads. This variational principle has been specialized to a Gutzwiller's variational space, and applied to the study of the simple single-orbital Anderson impurity model at half filling, finding a good qualitative accord with the observed behavior in quantum dots for the expected regime of values of the bias. Beyond the purely theoretical interest in the formal definition of a variational principle in a nonequilibrium problem, the particular methods proposed have the important advantage to be simple and flexible enough to deal with more complicated systems and variational spaces.Comment: 15 pages, 4 figure

Localized states due to expulsion of resonant impurity levels from the continuum in bilayer graphene

Anderson impurity problem is considered for a graphene bilayer subject to a gap-opening bias. In-gap localized states are produced even when the impurity level overlaps with the continuum of band electrons. The effect depends strongly on the polarity of the applied bias as long as hybridization with the impurity occurs within a single layer. For an impurity level inside the conduction band a positive bias creates the new localized in-gap state. A negative bias does not produce the same result and leads to a simple broadening of the impurity level. The implications for transport are discussed including a possibility of gate-controlled Kondo effect.Comment: 5 pages, 2 figure

Friedel sum rule for an interacting multiorbital quantum dot

A generalized Friedel sum rule is derived for a quantum dot with internal orbital and spin degrees of freedom. The result is valid when all many-body correlations are taken into account and it links the phase shift of the scattered electron to the displacement of its SPECTRAL density into the dot.Comment: RevTeX 4.0, 5 page

Phase diagram, energy scales and nonlocal correlations in the Anderson lattice model

We study the Anderson lattice model with one f-orbital per lattice site as the simplest model which describes generic features of heavy fermion materials. The resistivity and magnetic susceptibility results obtained within dynamical mean field theory (DMFT) for a nearly half-filled conduction band show the existence of a single energy scale $T^*$ which is similar to the single ion Kondo temperature $T_K^o$. To determine the importance of inter-site correlations, we have also solved the model within cellular DMFT (CDMFT) with two sites in a unit cell. The antiferromagnetic region on the phase diagram is much narrower than in the single-site solution, having a smaller critical hybridization $V_c$ and N\'eel temperature $T_N$. At temperatures above $T_N$ the nonlocal correlations are small, and the DMFT paramagnetic solution is in this case practically exact, which justifies the ab initio LDA+DMFT approach in theoretical studies of heavy fermions. Strong inter-site correlations in the CDMFT solution for $T<T_N$, however, indicate that they have to be properly treated in order to unravel the physical properties near the quantum critical point.Comment: 10 page

Slave-boson approach to the infinite-U Anderson-Holstein impurity model

The infinite-$U$ Anderson-Holstein impurity model is studied with a focus on the interplay between the strong electron correlation and the weak electron-phonon interaction. The slave boson method has been employed in combination with the large degeneracy expansion (1/N) technique. The charge and spin susceptibilities and the phonon propagator are obtained in the approximation scheme where the saddle point configuration and the Gaussian 1/N fluctuations are taken into account. The spin susceptibility is found not to be renormalized by electron-phonon interaction, while the charge susceptibility is renormalized. From the renormalized charge susceptibility the Kondo temperature is found to increase by the electron-phonon interaction. It turns out that the bosonic 1/N Gaussian fluctuations play a very crucial role, in particular, for the phonon propagator.Comment: 12pages, 3 figures. Published in Physical Review