Zero-temperature magnetism in the periodic Anderson model in the limit of large dimensions

We study the magnetism in the periodic Anderson model in the limit of large dimensions by mapping the lattice problem into an equivalent local impurity self-consistent model. Through a recently introduced algorithm based on the exact diagonalization of an effective cluster hamiltonian, we obtain solutions with and without magnetic order in the half-filled case. We find the exact AFM-PM phase boundary which is shown to be of $2^{nd}$ order and obeys $\frac{V^2}{U} \approx const.$ We calculate the local staggered moments and the density of states to gain insights on the behavior of the AFM state as it evolves from itinerant to a local-moment magnetic regimeComment: 9 pages + 9 figures, to appear in Phys. Rev. B, 1 Sept. 1995 issu

Asymptotically exact mean field theory for the Anderson model including double occupancy

The Anderson impurity model for finite values of the Coulomb repulsion $U$ is studied using a slave boson representation for the empty and doubly occupied $f$-level. In order to avoid well known problems with a naive mean field theory for the boson fields, we use the coherent state path integral representation to first integrate out the double occupancy slave bosons. The resulting effective action is linearized using {\bf two-time} auxiliary fields. After integration over the fermionic degrees of freedom one obtains an effective action suitable for a $1/N_f$-expansion. Concerning the constraint the same problem remains as in the infinite $U$ case. For $T \rightarrow 0$ and $N_f \rightarrow \infty$ exact results for the ground state properties are recovered in the saddle point approximation. Numerical solutions of the saddle point equations show that even in the spindegenerate case $N_f = 2$ the results are quite good.Comment: 19, RevTeX, cond-mat/930502

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

Charge and Spin Structures of a dx2−y2d_{x^2 - y^2} Superconductor in the Proximity of an Antiferromagnetic Mott Insulator

To the Hubbard model on a square lattice we add an interaction, $W$, which depends upon the square of a near-neighbor hopping. We use zero temperature quantum Monte Carlo simulations on lattice sizes up to $16 \times 16$, to show that at half-filling and constant value of the Hubbard repulsion, the interaction $W$ triggers a quantum transition between an antiferromagnetic Mott insulator and a $d_{x^2 -y^2}$ superconductor. With a combination of finite temperature quantum Monte Carlo simulations and the Maximum Entropy method, we study spin and charge degrees of freedom in the superconducting state. We give numerical evidence for the occurrence of a finite temperature Kosterlitz-Thouless transition to the $d_{x^2 -y^2}$ superconducting state. Above and below the Kosterlitz-Thouless transition temperature, $T_{KT}$, we compute the one-electron density of states, $N(\omega)$, the spin relaxation rate $1/T_1$, as well as the imaginary and real part of the spin susceptibility $\chi(\vec{q},\omega)$. The spin dynamics are characterized by the vanishing of $1/T_1$ and divergence of $Re \chi(\vec{q} = (\pi,\pi), \omega = 0)$ in the low temperature limit. As $T_{KT}$ is approached $N(\omega)$ develops a pseudo-gap feature and below $T_{KT}$ $Im \chi(\vec{q} = (\pi,\pi), \omega)$ shows a peak at finite frequency.Comment: 46 pages (latex) including 14 figures in encapsulated postscript format. Submitted for publication in Phys. Rev.

Doping induced metal-insulator transition in two-dimensional Hubbard, t−Ut-U, and extended Hubbard, t−U−Wt-U-W, models

We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle nearest-neighbor hopping. This result is reached by computing the localization length, $\xi_l$, in the insulating state. At finite values of $W$ we find results consistent with $\xi_l \sim | \mu - \mu_c|^{- 1/2}$ where $\mu_c$ is the critical chemical potential. In contrast, $\xi_l \sim | \mu - \mu_c|^{-1/4}$ for the Hubbard model. At finite values of $W$, the presented numerical results imply that doping the antiferromagnetic Mott insulator leads to a $d_{x^2 - y ^2}$ superconductor.Comment: 19 pages (latex) including 7 figures in encapsulated postscript format. Submitted for publication in Phys. Rev.

Pseudogap Formation and Heavy Carrier Dynamics in Intermediate Valence YbAl3

Infrared optical conductivity [$\sigma(\omega)$] of the intermediate valence compound YbAl$_3$ has been measured at temperatures 8 K $\leq T \leq$ 690 K to study its microscopic electronic structures. Despite the highly metallic characters of YbAl$_3$, $\sigma(\omega)$ exhibits a clear pseudogap (strong depletion of spectral weight) of about 60 meV below 40 K. It also shows a strong mid-infrared peak centered at $\sim$ 0.25 eV. Energy-dependent effective mass and scattering rate of the carriers obtained from the data indicate the formation of a heavy-mass Fermi liquid state. These characteristic results are discussed in terms of the hybridization states between the Yb 4$f$ and the conduction electrons. It is argued, in particular, that the pseudogap and the mid-infrared peak result from the indirect and the direct gaps, respectively, within the hybridization state. band.Comment: 4 pages, 4 figures, submitted to J. Phys. Soc. Jp

Anomalous low doping phase of the Hubbard model

We present results of a systematic Quantum-Monte-Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES & IPES), two-particle spectra (spin & density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow to identify different physical regimes. Near half-filling we find an anomalous `Hubbard-I phase', where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless `bands' emerge due to the dressing of electrons/holes with spin excitatons. We present a simple phenomenological fit which reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of 15%, i.e. the underdoped region in the phase diagram of high-T_c superconductors. We also investigate the nature of the magnetic ordering transition in the single particle spectra. We show that the transition to an SDW-like band structure is not accomplished by the formation of any resolvable `precursor bands', but rather by a (spectroscopically invisible) band of spin 3/2 quasiparticles. We discuss implications for the `remnant Fermi surface' in insulating cuprate compounds and the shadow bands in the doped materials.Comment: RevTex-file, 20 PRB pages, 16 figures included partially as gif. A full ps-version including ps-figures can be found at http://theorie.physik.uni-wuerzburg.de/~eder/condmat.ps.gz Hardcopies of figures (or the entire manuscript) can also be obtained by e-mail request to: [email protected]

Magnetic correlations and quantum criticality in the insulating antiferromagnetic, insulating spin liquid, renormalized Fermi liquid, and metallic antiferromagnetic phases of the Mott system V_2O_3

Magnetic correlations in all four phases of pure and doped vanadium sesquioxide V_2O_3 have been examined by magnetic thermal neutron scattering. While the antiferromagnetic insulator can be accounted for by a Heisenberg localized spin model, the long range order in the antiferromagnetic metal is an incommensurate spin-density-wave, resulting from a Fermi surface nesting instability. Spin dynamics in the strongly correlated metal are dominated by spin fluctuations in the Stoner electron-hole continuum. Furthermore, our results in metallic V_2O_3 represent an unprecedentedly complete characterization of the spin fluctuations near a metallic quantum critical point, and provide quantitative support for the SCR theory for itinerant antiferromagnets in the small moment limit. Dynamic magnetic correlations for energy smaller than k_BT in the paramagnetic insulator carry substantial magnetic spectral weight. However, the correlation length extends only to the nearest neighbor distance. The phase transition to the antiferromagnetic insulator introduces a sudden switching of magnetic correlations to a different spatial periodicity which indicates a sudden change in the underlying spin Hamiltonian. To describe this phase transition and also the unusual short range order in the paramagnetic state, it seems necessary to take into account the orbital degrees of freedom associated with the degenerate d-orbitals at the Fermi level in V_2O_3.Comment: Postscript file, 24 pages, 26 figures, 2 tables, accepted by Phys. Rev.