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J. Buenemann

Publications and source records attributed to J. Buenemann.

10 recordsLinked to original sources
arXiv2013

High-temperature superconductivity in the Hubbard model: Gutzwiller wave-function solution

A systematic diagrammatic expansion for Gutzwiller-wave functions (DE-GWF) is formulated and used for the description of superconducting (SC) ground state in the two-dimensional Hubbard model with electron-transfer amplitudes t (and t') between nearest (and next-nearest) neighbors. The method is numerically very efficient and allows for a detailed analysis of the phase diagram as a function of all relevant parameters (U, δ, t') and a determination of the kinetic-energy driven pairing region. SC states appear only for substantial interactions, U/t > 3, and for not too large hole doping, δ< 0.32 for t' = 0.25 t; this upper critical doping value agrees well with experiment for the cuprate high-temperature superconductors. We also obtain other important features of the SC state: (i) the SC gap at the Fermi surface resembles $d_{x^2-y^2}$-wave only around the optimal doping and the corrections to this state are shown to arise from the longer range of the pairing; (ii) the nodal Fermi velocity is almost constant as a function of doping and agrees quantitatively with the experimental results; (iii) the SC transition is driven by the kinetic-energy lowering for low doping and strong interactions.

cond-mat.str-el↗
arXiv2011

Time-Dependent Gutzwiller Theory for Multiband Hubbard Models

Based on the variational Gutzwiller theory, we present a method for the computation of response functions for multiband Hubbard models with general local Coulomb interactions. The improvement over the conventional random-phase approximation is exemplified for an infinite-dimensional two-band Hubbard model where the incorporation of the local multiplet-structure leads to a much larger sensitivity of ferromagnetism on the Hund coupling. Our method can be implemented into LDA+Gutzwiller schemes and will therefore be an important tool for the computation of response functions for strongly correlated materials.

cond-mat.str-el↗
arXiv2009

Renormalization of Bulk Magnetic Electron States at High Binding Energies

The quasiparticle dynamics of electrons in a magnetically ordered state is investigated by high-resolution angle-resolved photoemission of Ni(110) at 10 K. The self-energy is extracted for high binding energies reaching up to 500 meV, using a Gutzwiller calculation as a reference frame for correlated quasiparticles. Significant deviations exist in the 300 meV range, as identified on magnetic bulk bands for the first time. The discrepancy is strikingly well described by a self-energy model assuming interactions with spin excitations. Implications relating to different electron-electron correlation regimes are discussed.

cond-mat.str-el↗
arXiv2003

Landau-Gutzwiller quasi-particles

We define Landau quasi-particles within the Gutzwiller variational theory, and derive their dispersion relation for general multi-band Hubbard models in the limit of large spatial dimensions D. Thereby we reproduce our previous calculations which were based on a phenomenological effective single-particle Hamiltonian. For the one-band Hubbard model we calculate the first-order corrections in 1/D and find that the corrections to the quasi-particle dispersions are small in three dimensions. They may be largely absorbed in a rescaling of the total band width, unless the system is close to half band filling. Therefore, the Gutzwiller theory in the limit of large dimensions provides quasi-particle bands which are suitable for a comparison with real, three-dimensional Fermi liquids.

cond-mat.str-el↗
arXiv2002

Atomic correlations in itinerant ferromagnets: quasi-particle bands of nickel

We measure the band structure of nickel along various high-symmetry lines of the bulk Brillouin zone with angle-resolved photoelectron spectroscopy. The Gutzwiller theory for a nine-band Hubbard model whose tight-binding parameters are obtained from non-magnetic density-functional theory resolves most of the long-standing discrepancies between experiment and theory on nickel. Thereby we support the view of itinerant ferromagnetism as induced by atomic correlations.

cond-mat.str-el↗
arXiv2001

Random phase approximation for multi-band Hubbard models

We derive the random-phase approximation for spin excitations in general multi-band Hubbard models, starting from a collinear ferromagnetic Hartree-Fock ground state. The results are compared with those of a recently introduced variational many-body approach to spin-waves in itinerant ferromagnets. As we exemplify for Hubbard models with one and two bands, the two approaches lead to qualitatively different results. The discrepancies can be traced back to the fact that the Hartree-Fock theory fails to describe properly the local moments which naturally arise in a correlated-electron theory.

cond-mat.str-el↗
arXiv2001

On the way to a Gutzwiller density functional theory

Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The exact evaluation of these variational ground states in the limit of large coordination number allows the identification of quasi-particle band structures, and the calculation of a variational spinwave dispersion. The study of a generic two-band model elucidates the co-operation of the Coulomb repulsion and the Hund's-rule exchange for itinerant ferromagnetism. We present results of calculations for ferromagnetic nickel, using a realistic 18 spin-orbital basis of $4s$, $4p$ and $3d$ valence electrons. The quasi-particle energy bands agree much better with the photo-emission and Fermi surface data than the band structure obtained from spin-density functional theory (SDFT).

cond-mat.str-el↗
arXiv2000

Spin-Waves in itinerant ferromagnets

We introduce a novel approach for the investigation of spin-wave excitations in itinerant ferromagnets. Our theory is based on a variational treatment of general multi-band Hubbard models which describe elements and compounds of transition metals. The magnon dispersion is derived approximately as the energy of a variational spin-wave state in the limit of large spatial dimensions. A numerical evaluation of our results is feasible for general multi-band models. As a first application we consider a model with two degenerate orbitals per lattice site. From our results we can conclude that spin-wave excitations in strong itinerant ferromagnets are very similar to those in ferromagnetic spin systems.

cond-mat.str-el↗