Spectral density of an interacting dot coupled indirectly to conducting leads

We study the spectral density of electrons rho in an interacting quantum dot (QD) with a hybridization lambda to a non-interacting QD, which in turn is coupled to a non-interacting conduction band. The system corresponds to an impurity Anderson model in which the conduction band has a Lorentzian density of states of width Delta2. We solved the model using perturbation theory in the Coulomb repulsion U (PTU) up to second order and a slave-boson mean-field approximation (SBMFA). The PTU works surprisingly well near the exactly solvable limit Delta2 -> 0. For fixed U and large enough lambda or small enough Delta2, the Kondo peak in rho(omega) splits into two peaks. This splitting can be understood in terms of weakly interacting quasiparticles. Before the splitting takes place the universal properties of the model in the Kondo regime are lost. Using the SBMFA, simple analytical expressions for the occurrence of split peaks are obtained. For small or moderate Delta2, the side bands of rho(omega) have the form of narrow resonances, that were missed in previous studies using the numerical renormalization group. This technique also has shortcomings for describing properly the split Kondo peaks. As the temperature is increased, the intensity of the split Kondo peaks decreases, but it is not completely suppressed at high temperatures.Comment: 13 pages, 13 figures, accepted in Phys. Rev.

Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening

We provide a prescription for constructing Hamiltonians representing the low energy physics of correlated electron materials with dynamically screened Coulomb interactions. The key feature is a renormalization of the hopping and hybridization parameters by the processes that lead to the dynamical screening. The renormalization is shown to be non-negligible for various classes of correlated electron materials. The bandwidth reduction effect is necessary for connecting models to materials behavior and for making quantitative predictions for low-energy properties of solids.Comment: 4 pages, 2 figure

Dynamical screening in strongly correlated metal SrVO3

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the state-of-the-art ab initio electronic structure computing framework of local density approximation plus dynamical mean-field theory, and then choose SrVO3 as a prototype material to demonstrate the importance of dynamical screening effect. It is shown to renormalise the spectral weight near the Fermi level, to increase the effective mass, and to suppress the t2g quasiparticle band width apparently. The calculated results are in accordance with very recent angle-resolved photoemission spectroscopy experiments and Bose factor ansatz calculations.Comment: 6 pages, 4 figures. arXiv admin note: text overlap with arXiv:1107.312

Long-Range coulomb interactions in surface systems: a first-Principles description within self-Consistently combined GW and dynamical mean-Field theory

Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low-energy Hamiltonians for the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve within self-consistently combined GW and dynamical mean-field theory. Calculated photoemission spectra are in agreement with available experimental data. We rationalize experimentally observed trends from Mott physics toward charge ordering along the series as resulting from substantial long-range interactions