Weak-coupling treatment of electronic (anti-)ferroelectricity in the extended Falicov-Kimball model

We study the (spinless) Falicov-Kimball model extended by a finite band width (hopping t _f ) of the localized (f-) electrons in infinite dimensions in the weak-coupling limit of a small local interband Coulomb correlation U for half filling. In the case of overlapping conduction- and f-bands different kinds of ordered solutions are possible, namely charge-density wave (CDW) order, electronic ferroelectricity (EFE) and electronic antiferroelectricity (EAFE). The order parameters are calculated as a function of the model parameters and of the temperature. There is a first-order phase transition from the CDW-phase to the EFE- or EAFE-phase. The total energy is calculated to determine the thermodynamically stable solution. The quantum phase diagrams are calculated.     

Localization properties of two interacting particles in a quasi-periodic potential with a metal-insulator transition

We study the influence of many-particle interactions on a metal-insulator transition. We consider the two-interacting-particle problem for onsite interacting particles on a one-dimensional quasiperiodic chain, the so-called Aubry-André model. We show numerically by the decimation method and finite-size scaling that the interaction does not modify the critical parameters such as the transition point and the localization-length exponent. We compare our results to the case of finite density systems studied by means of the density-matrix renormalization scheme. Received 28 June 2001     

Phase diagram of the Mott transition in a two-band Hubbard model in infinite dimensions

The Mott metal-insulator transition in the two-band Hubbard model in infinite dimensions is studied by using the linearized dynamical mean-field theory recently developed by Bulla and Potthoff. The phase boundary of the metal-insulator transition is obtained analytically as a function of the on-site Coulomb interaction at the d-orbital, the charge-transfer energy between the d- and p-orbitals and the hopping integrals between p-d, d-d and p-p orbitals. The result is in good agreement with the numerical results obtained from the exact diagonalization method. Received 5 October 2000 and Received in final form 8 December 2000     

Magnetism and phase separation in the ground state of the Hubbard model

We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilize a Néel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discussed. Received 9 January 2002 Published online 25 June 2002     

The semiconductor-to-ferromagnetic-metal transition in FeSb2

We propose FeSb₂ to be a nearly ferromagnetic small gap semiconductor, hence a direct analog of FeSi. We find that despite different compositions and crystal structures, in the local density approximation with on-site Coulomb repulsion correction (LDA+U) method magnetic and semiconducting solutions for U=2.6 eV are energetically degenerate similar to the case of FeSi. For both FeSb₂ and FeSi (FeSi_1-xGe_x alloys) the underlying transition mechanism allows one to switch from a small gap semiconductor to a ferromagnetic metal with magnetic moment ≈1 μ_B per Fe ion with external magnetic field.     

Valence transition behavior of the doped Falicov-Kimball model at nonzero temperatures

The extrapolation of small-cluster exact-diagonalization calculations is used to study the influence of doping on valence transitions in the spinless Falicov-Kimball model at nonzero temperatures. Two types of doping are examined, and namely, the substitution of rare-earth ions by nonmagnetic ions that introduce (i) one or (ii) none additional electron (per nonmagnetic ion) into the conduction band. It is found that the first type of substitution increases the average f-state occupancy of rare-earth ions, whereas the second type of substitution has the opposite effect. The results obtained are used to describe valence transition behavior of samarium in the hexaboride solid solutions Sm_1−xM_xB₆ (M=Y³⁺, La³⁺, Sr²⁺, Yb²⁺) and a very good agreement of theoretical and experimental results is found.     

Two-parameter extended Hubbard Hamiltonian with supersymmetry

We investigate under which circumstances extended Hubbard models, including bond-charge, exchange, and pair-hopping terms, are invariant under gl (2,1) superalgebra. This happens for a two-parameter Hamiltonian which includes as particular cases the t - J, the EKS and the one-parameter BGLZ Hamiltonians, all integrable in one dimension. We show that the two parameter Hamiltonian can be recasted as the sum of the BGLZ Hamiltonian plus the graded permutation operator of electronic states on neighbouring sites. The integrability of the corresponding one-dimensional model is discussed. Received: 17 February 1998 / Received in final form: 6 March 1998 / Accepted: 17 April 1998     

Electronic structure of Pu monochalcogenides and monopnictides

The electronic and magnetic properties of Pu monopnictides and monochalcogenides, PuX (X = N, P, As, Sb, Bi, O, S, Se, Te, Po), are studied using the self-interaction-corrected local spin-density approximation. This approach allows for an integer number of f-states to be localized, while the remaining f-electron degrees of freedom are available for band formation. By varying the relative proportions of localized and delocalized f-states, the energetically most favourable (groundstate) configuration can be established. We show that the experimental data can be interpreted in terms of the coexistence of both localized and delocalized f-states. Received 10 August 2001     

Crossing of specific heat curves in some correlated fermion systems

Specific heat versus temperature curves for various pressures, or magnetic fields (or some other external control parameter) have been seen to cross at a point or in a very small range of temperatures in many correlated fermion systems. We show that this behavior is related to the possibility of existence of a quantum critical point. Vicinity to a quantum critical point in these systems leads to a crossover from quantum to classical fluctuation regime at some temperature . The temperature at which the curves cross turns out to be near this crossover temperature. We have discussed the case of the normal phase of liquid Helium three and the heavy fermion systems CeAl₃ and UBe₁₃ in detail within the spin fluctuation theory, a theory which inherently contains a low energy scale which can be identified with . When the crossover scale is a homogeneous function of these control parameters there is always crossing at a point. We also mention other theories exhibiting a low energy scale near a quantum critical point and discuss this phenomenon in those theories. Received 25 June 1999     

Critical behaviour near the metal-insulator transition of a doped Mott insulator

We have studied the critical behaviour of a doped Mott insulator near the metal-insulator transition for the infinite-dimensional Hubbard model using a linearized form of dynamical mean-field theory. The discontinuity in the chemical potential in the change from hole to electron doping, for U larger than a critical value U _c, has been calculated analytically and is found to be in good agreement with the results of numerical methods. We have also derived analytic expressions for the compressibility, the quasiparticle weight, the double occupancy and the local spin susceptibility near half-filling as functions of the on-site Coulomb interaction and the doping. Received 15 March 2001 and Received in final form 22 May 2001     

Frustration of antiferromagnetism in the t-t′-Hubbard model at weak coupling

The perfect-nesting instability towards antiferromagnetism of the Hubbard model is suppressed by next-nearest neighbor hopping t′. The asymptotic behavior of the critical coupling U_c(t′) at small t′ is calculated in dimensions d = 2,3, ∞ using Hartree theory; this yields the exact result at least in d > 2. The order of the transition is also determined. A region of stability of a metallic antiferromagnetic phase in d = 3 is identified.     

Anisotropy of the energy gap in the insulating phase of the U-t-t' Hubbard model

We apply a diagrammatic expansion method around the atomic limit () for the U-t-t ' Hubbard model at half filling and finite temperature by means of a continued fraction representation of the one-particle Green's function. From the analysis of the spectral function we find an energy dispersion relation with a modulation of the energy gap in the insulating phase. This anisotropy is compared with experimental ARPES results on insulating cuprates. Received 18 May 2000 and Received in final form 9 August 2000     

Heavy electron YBNi2B2C and giant exchange YbNiBC: 170Yb Mössbauer spectroscopy and magnetization studies

We present magnetic properties of the three-band Hubbard model in the para- and antiferromagnetic phase on a hypercubic lattice calculated with the Dynamical Mean-Field Theory (DMFT). To allow for solutions with broken spin-symmetry we extended the approach to lattices with AB-like structure. Above a critical sublattice magnetization one can observe rich structures in the spectral-functions similar to the t-J model which can be related to the well known bound states for one hole in the Neél-background. In addition to the one-particle properties we discuss the static spin-susceptibility in the paramagnetic state at the points and for different dopings . The -T-phase-diagram exhibits an enhanced stability of the antiferromagnetic state for electron-doped systems in comparison to hole-doped. This asymmetry in the phase diagram is in qualitative agreement with experiments for high-T_c materials. Received: 28 May 1998 / Revised and Accepted: 14 September 1998     

Numerical analysis of the dissipative two-state system with the density-matrix Hilbert-space-reduction algorithm

To investigate the influence of electronic interaction on the metal-insulator transition (MIT), we consider the Aubry-André (or Harper) model which describes a quasiperiodic one-dimensional quantum system of non-interacting electrons and exhibits an MIT. For a two-particle system, we study the effect of a Hubbard interaction on the transition by means of the transfer-matrix method and finite-size scaling. In agreement with previous studies we find that the interaction localizes some states in the otherwise metallic phase of the system. Nevertheless, the MIT remains unaffected by the interaction. For a long-range interaction, many more states become localized for sufficiently large interaction strength and the MIT appears to shift towards smaller quasiperiodic potential strength. Received 17 August 1998     

Role of the d-f Coulomb interaction in intermediate valence and Kondo systems: a numerical renormalization group study

Using the numerical renormalization group method, the dependences on temperature of the magnetic susceptibility χ(T) and specific heat C(T) are obtained for the single-impurity Anderson model with inclusion of d-f the Coulomb interaction. It is shown that the exciton effects caused by this effect (charge fluctuations) can significantly change the behaviour of C(T) in comparison with the standard Anderson model at moderately low temperatures, whereas the behaviour of χ(T) remains nearly universal. The ground-state and temperature-dependent renormalizations of the effective hybridization parameter and f-level position caused by the d-f interaction are calculated, and satisfactory agreement with the Hartree-Fock approximation is derived.     

Microscopic conditions favoring itinerant ferromagnetism: Hund's rule coupling and orbital degeneracy

The importance of Hund's rule coupling for the stabilization of itinerant ferromagnetism is investigated within a two-band Hubbard model. The magnetic phase diagram is calculated by finite-temperature quantum Monte-Carlo simulations within the dynamical mean-field theory. Ferromagnetism is found in a broad range of electron fillings whereas antiferromagnetism exists only near half filling. The possibility of orbital ordering at quarter filling is also analyzed. Received: 26 February 1998 / Accepted: 17 April 1998     

Phase diagram of the spin extended model

The quantum phase transition in the ground state of the extended spin S = 1/2 XY model has been studied in detail. Using the exact solution of the model the low temperature thermodynamics, as well as the ground state phase diagram of the model in the presence of applied uniform and/or staggered magnetic field are discussed. Received 29 November 2002 / Received in final form 24 February 2003 Published online 11 April 2003 RID="a" ID="a"e-mail: japa@iph.hepi.edu.ge     

Ground states of an extended Falicov-Kimball model

We present a non-perturbative study of an extended Falicov-Kimball model in one dimension. Working within the binary alloy interpretation, we include the spin of the itinerant electrons and a Hubbard interaction to model the inter-electron correlations. We derive an effective Ising model for the atomic configuration in order to show how the Hubbard term affects the stability of the phase separated states. Furthermore, we investigate the competition between the Mott insulator state of the itinerant electrons and the checkerboard phase of the spinless Falicov-Kimball model.