Nodal/Antinodal Dichotomy and the Two Gaps of a Superconducting Doped Mott Insulator

We study the superconducting state of the hole-doped two-dimensional Hubbard model using Cellular Dynamical Mean Field Theory, with the Lanczos method as impurity solver. In the under-doped regime, we find a natural decomposition of the one-particle (photoemission) energy-gap into two components. The gap in the nodal regions, stemming from the anomalous self-energy, decreases with decreasing doping. The antinodal gap has an additional contribution from the normal component of the self-energy, inherited from the normal-state pseudogap, and it increases as the Mott insulating phase is approached.Comment: Corrected typos, 4.5 pages, 4 figure

Signature of antiferromagnetic long-range order in the optical spectrum of strongly correlated electron systems

We show how the onset of a non-Slater antiferromagnetic ordering in a correlated material can be detected by optical spectroscopy. Using dynamical mean-field theory we identify two distinctive features: The antiferromagnetic ordering is associated with an enhanced spectral weight above the optical gap, and well separated spin-polaron peaks emerge in the optical spectrum. Both features are indeed observed in LaSrMnO_4 [G\"ossling et al., Phys. Rev. B 77, 035109 (2008)]Comment: 11 pages, 9 figure

Superconductivity in the Two-Band Hubbard Model in Infinite Dimensions

We study a two-band Hubbard model in the limit of infinite dimensions, using a combination of analytical methods and Monte-Carlo techniques. The normal state is found to display various metal to insulators transitions as a function of doping and interaction strength. We derive self-consistent equations for the local Green's functions in the presence of superconducting long-range order, and extend previous algorithms to this case. We present direct numerical evidence that in a specific range of parameter space, the normal state is unstable against a superconducting state characterized by a strongly frequency dependent order-parameter.Comment: 12 pages (14 figures not included, available upon request), Latex, LPTENS Preprint 93/1

k-dependent spectrum and optical conductivity near metal-insulator transition in multi-orbital Hubbard bands

We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in arbitrary electron occupation. The spectrum simultaneously shows the effects of multiplet structure and DMFT together with the electron ionization and affinity levels of different electron occupations, coherent peaks at the Fermi energy in the metallic phase and a gap at an integer filling of electrons for sufficiently large Coulomb U. We also calculate the critical value of the Coulomb U for degenerate orbitals.Comment: 8 pages, 6 figure

Correlation and surface effects in Vanadium Oxides

Recent photoemission experiments have shown strong surface modifications in the spectra from vanadium oxides as (V,Cr)_2O_3 or (Sr,Ca)VO_3. The effective mass is enhanced at the surface and the coherent part of the surface spectrum is narrowed as compared to the bulk. The quasiparticle weight is more sensitive at the surface than in the bulk against bandwidth variations. We investigate these effects theoretically considering the single-band Hubbard model for a film geometry. A simplified dynamical mean-field scheme is used to calculate the main features of the interacting layer-dependent spectral function. It turns out that the experimentally confirmed effects are inherent properties of a system of strongly correlated electrons. The reduction of the weight and the variance of the coherent part of the surface spectrum can be traced back to the reduced surface coordination number. Surface correlation effects can be strongly amplified by changes of the hopping integrals at the surface.Comment: to appear in PRB; 8 pages, 6 figure

Competition between electron-phonon attraction and weak Coulomb repulsion

The Holstein-Hubbard model is examined in the limit of infinite dimensions. Conventional folklore states that charge-density-wave (CDW) order is more strongly affected by Coulomb repulsion than superconducting order because of the pseudopotential effect. We find that both incommensurate CDW and superconducting phases are stabilized by the Coulomb repulsion, but, surprisingly, the commensurate CDW transition temperature is more robust than the superconducting transition temperature. This puzzling feature is resolved by a detailed analysis of perturbation theory.Comment: 13 pages in ReVTex including 3 encapsulated postscript files (embedded in the text). The encapsulated postscript files are compressed and uuencoded after the TeX file

Electronic correlations and Hund's coupling effects in SrMoO3_3 revealed by photoemission spectroscopy

We investigate the electronic structure of a perovskite-type Pauli paramagnet SrMoO3 (t2g2) thin film using hard x-ray photoemission spectroscopy and compare the results to the realistic calculations that combine the density functional theory within the local-density approximation (LDA) with the dynamical-mean field theory (DMFT). Despite the clear signature of electron correlations in the electronic specific heat, the narrowing of the quasiparticle bands is not observed in the photoemission spectrum. This is explained in terms of the characteristic effect of Hund's rule coupling for partially-filled t2g bands, which induces strong quasiparticle renormalization already for values of Hubbard interaction which are smaller than the bandwidth. The interpretation is supported by additional model DMFT calculations including Hund's rule coupling, that show renormalization of low-energy quasiparticles without affecting the overall bandwidth. The photoemission spectra show additional spectral weight around -2 eV that is not present in the LDA+DMFT. We interpret this weight as a plasmon satellite, which is supported by measured Mo, Sr and Oxygen core-hole spectra that all show satellites at this energy.Comment: 8 pages, 7 figure

The RKKY interactions and the Mott Transition

A two-site cluster generalization of the Hubbard model in large dimensions is examined in order to study the role of short-range spin correlations near the metal-insulator transition (MIT). The model is mapped to a two-impurity Kondo-Anderson model in a self-consistently determined bath, making it possible to directly address the competition between the Kondo effect and RKKY interactions in a lattice context. Our results indicate that the RKKY interactions lead to qualitative modifications of the MIT scenario even in the absence of long range antiferromagnetic ordering.Comment: 10 pages, 10 figures; to appear in Phys. Rev. B (1999

Origin of the spectral linewidth in non linear oscillators based on MgO tunnel junctions

We demonstrate the strong impact of the oscillator agility on the line broadening by studying spin transfer induced microwave emission in MgO-based tunnel junctions with current. The linewidth is almost not affected by decreasing the temperature. At very low currents, a strong enhancement of the linewidth at low temperature is attributed to an increase of the non linearity, probably due to the field-like torque. Finally we evidence that the noise is not dominated by thermal fluctuations but rather by the chaotization of the magnetization system induced by the spin transfer torque.Comment: 12 pages, 3 figures, published in Phys. Rev. B 80, 060404 (2009

Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications

We present a simple implementation of the dynamical mean-field theory approach to the electronic structure of strongly correlated materials. This implementation achieves full self-consistency over the charge density, taking into account correlation-induced changes to the total charge density and effective Kohn-Sham Hamiltonian. A linear muffin-tin orbital basis-set is used, and the charge density is computed from moments of the many body momentum-distribution matrix. The calculation of the total energy is also considered, with a proper treatment of high-frequency tails of the Green's function and self-energy. The method is illustrated on two materials with well-localized 4f electrons, insulating cerium sesquioxide Ce2O3 and the gamma-phase of metallic cerium, using the Hubbard-I approximation to the dynamical mean-field self-energy. The momentum-integrated spectral function and momentum-resolved dispersion of the Hubbard bands are calculated, as well as the volume-dependence of the total energy. We show that full self-consistency over the charge density, taking into account its modification by strong correlations, can be important for the computation of both thermodynamical and spectral properties, particularly in the case of the oxide material.Comment: 20 pages, 6 figures (submitted in The Physical Review B