Andreev-Lifshitz supersolid revisited for a few electrons on a square lattice II

In this second paper, using N = 3 polarized electrons (spinless fermions) interacting via a U/r Coulomb repulsion on a two dimensional L×L square lattice with periodic boundary conditions and nearest neighbor hopping t, we show that a single unpaired fermion can co-exist with a correlated two particle Wigner molecule for intermediate values of the Coulomb energy to kinetic energy ratio r _s = UL/(2t ). This supports in an ultimate mesoscopic limit a possibility proposed by Andreev and Lifshitz for the thermodynamic limit: a quantum crystal may have delocalized defects without melting, the number of sites of the crystalline array being smaller than the total number of particles. When L = 6, the ground state exhibits four regimes as r_s increases: a Hartree-Fock regime, a first supersolid regime where a correlated pair co-exists with a third fully delocalized particle, a second supersolid regime where the third particle is partly delocalized, and eventually a correlated lattice regime. Received 22 October 2002 Published online 23 May 2003 RID="a" ID="a"e-mail: jpichard@cea.fr     

From independent particle towards collective motion for two polarized electrons on a square lattice

The two dimensional crossover from independent particle towards collective motion is studied using 2 polarized electrons (spinless fermions) interacting via a U/r Coulomb repulsion in a L×L square lattice with periodic boundary conditions and nearest neighbor hopping t. Three regimes characterize the ground state when U/t increases. Firstly, when the fluctuation Δr of the spacing r between the two particles is larger than the lattice spacing a, there is a scaling length L ₀ = π²(t/U) such that the relative fluctuation Δr/〈r〉 is a universal function of the dimensionless ratio L/L ₀, up to finite size corrections of order L^-2. L < L ₀ and L > L ₀ are respectively the limits of the free particle Fermi motion and of the correlated motion of a Wigner molecule. Secondly, when U/t exceeds a threshold U ^*(L)/t, Δr becomes smaller than a, giving rise to a correlated lattice regime where the previous scaling breaks down and analytical expansions in powers of t/U become valid. A weak random potential reduces the scaling length and favors the correlated motion. Received 28 March 2002 Published online 19 November 2002     

Coulomb repulsion versus Hubbard repulsion in a disordered chain

We study the difference between on site Hubbard and long range Coulomb repulsions for two interacting particles in a disordered chain. The system size L (in units of the lattice spacing) is of the order of the one particle localization length and the energies are taken near the band center. In the two cases, the limits of weak and strong interactions are characterized by uncorrelated energy levels and are separated by a crossover regime where the states are more extended and the spectra more rigid. U denoting the interaction strength and t the kinetic energy scale, the crossovers take place for interaction energy to kinetic energy ratios U/t and U/(2tL) of order one, for Hubbard and Coulomb repulsions respectively. While Hubbard repulsion can only yield weak critical chaos with intermediate spectral statistics, Coulomb repulsion can drive the two particle system to quantum chaos with Wigner-Dyson spectral statistics. The interaction matrix elements are studied to explain this difference. Received 21 March 2000 and Received in final form 5 February 2001     

Interplay of charge, spin, orbital and lattice correlations in colossal magnetoresistance manganites

We derive a realistic microscopic model for doped colossal magnetoresistance manganites, which includes the dynamics of charge, spin, orbital and lattice degrees of freedom on a quantum mechanical level. The model respects the SU(2) spin symmetry and the full multiplet structure of the manganese ions within the cubic lattice. Concentrating on the hole doped domain ( 0≤x≤0.5) we study the influence of the electron-lattice interaction on spin and orbital correlations by means of exact diagonalisation techniques. We find that the lattice can cause a considerable suppression of the coupling between spin and orbital degrees of freedom and show how changes in the magnetic correlations are reflected in dynamic phonon correlations. In addition, our calculation gives detailed insights into orbital correlations and demonstrates the possibility of complex orbital states. Received 4 September 2002 / Received in final form 8 November 2002 Published online 31 December 2002     

Floating Wigner molecules and possible phase transitions in quantum dots

A floating Wigner crystal differs from the standard one by a spatial averaging over positions of the Wigner-crystal lattice. It has the same internal structure as the fixed crystal, but contrary to it, takes into account rotational and/or translational symmetry of the underlying jellium background. We study properties of a floating Wigner molecule in few-electron spin-polarized quantum dots, and show that the floating solid has the lower energy than the standard Wigner crystal with fixed lattice points. We also argue that internal rotational symmetry of individual dots can be broken in arrays of quantum dots, due to degenerate ground states and inter-dot Coulomb coupling. Received 12 September 2001 / Received in final form 24 April 2002 Published online 9 July 2002     

Self-energy-functional approach to systems of correlated electrons

The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a certain reference system. The variational scheme allows to construct new non-perturbative and thermodynamically consistent approximations. Numerical results illustrate the practicability of the method. Received 13 January 2003 / Received in final form 5 March 2003 Published online 24 April 2003     

Non-perturbative conserving approximations and Luttinger's sum rule

Weak-coupling conserving approximations can be constructed by truncations of the Luttinger-Ward functional and are well known as thermodynamically consistent approaches which respect macroscopic conservation laws as well as certain sum rules at zero temperature. These properties can also be shown for variational approximations that are generated within the framework of the self-energy-functional theory without a truncation of the diagram series. Luttinger's sum rule represents an exception. We analyze the conditions under which the sum rule holds within a non-perturbative conserving approximation. Numerical examples are given for a simple but non-trivial dynamical two-site approximation. The validity of the sum rule for finite Hubbard clusters and the consequences for cluster extensions of the dynamical mean-field theory are discussed.     

Low-energy spectrum and finite temperature properties of quantum rings

Recently it was demonstrated that the rotational and vibrational spectra of quantum rings containing few electrons can be described quantitatively by an effective spin-Hamiltonian combined with rigid center-of-mass rotation and internal vibrations of localized electrons. We use this model Hamiltonian to study the quantum rings at finite temperatures and in presence of a nonzero magnetic field. Total spin, angular momentum and pair correlation show similar phase diagram which can be understood with help of the rotational spectrum of the ring. Received 18 January 2002 Published online 13 August 2002     

Infinite chain of different deltas: A simple model for a quantum wire

We present the exact diagonalization of the Schr?dinger operator corresponding to a periodic potential with N deltas of different couplings, for arbitrary N. This basic structure can repeat itself an infinite number of times. Calculations of band structure can be performed with a high degree of accuracy for an infinite chain and of the correspondent eigenlevels in the case of a random chain. The main physical motivation is to modelate quantum wire band structure and the calculation of the associated density of states. These quantities show the fundamental properties we expect for periodic structures although for low energy the band gaps follow unpredictable patterns. In the case of random chains we find Anderson localization; we analize also the role of the eigenstates in the localization patterns and find clear signals of fractality in the conductance. In spite of the simplicity of the model many of the salient features expected in a quantum wire are well reproduced. Received 24 June 2002 Published online 29 November 2002     

Mixed valence on a pyrochlore lattice - as a geometrically frustrated magnet

Above 40 K, the magnetic susceptibility of the heavy Fermion spinel LiV₂O₄ has many features in common with those of geometrically frustrated magnetic insulators, while its room temperature resistivity comfortably exceeds the Mott-Regel limit. This suggests that local magnetic moments, and the underlying geometry of the pyrochlore lattice, play an important role in determining its magnetic properties. We extend a recently introduced tetragonal mean field theory for insulating pyrochlore antiferromagnets to the case where individual tetrahedra contain spins of different lengths, and use this as a starting point to discuss three different scenarios for magnetic and electronic transitions in LiV₂O₄. Received 12 March 2002 and Received in final form 3 May 2002 Published online 25 June 2002     

LOCV calculation for the uniform electron fluid at finite temperature

The free energy of the homogeneous electron fluid at finite temperature is obtained using the lowest order constrained variational (LOCV) method. In order to test the convergence of cluster expansion series the three-body cluster terms are calculated with the LOCV correlation functions. The results agree reasonably with those of Monte Carlo, coupled-cluster, perturbational expansion etc, techniques at zero temperature. The flashing and critical temperatures as well as the critical exponent are found to be about 0.6, 1.3 eV and 0.384 respectively. A similar liquid-gas phase transition to that of nuclear matter and liquid He³ is observed. Received 15 April 2002 / Received in final form 19 October 2002 Published online 4 February 2003 RID="a" ID="a"e-mail: modarres@khayam.ut.ac.ir     

Wigner lattice of ripplopolarons in a multielectron bubble in helium

The properties of ripplonic polarons in a multielectron bubble in liquid helium are investigated on the basis of a path-integral variational method. We find that the two-dimensional electron gas can form deep dimples in the helium surface, or ripplopolarons, to solidify as a Wigner crystal. We derive the experimental conditions of temperature, pressure and number of electrons in the bubble for this phase to be realized. This predicted state is distinct from the usual Wigner lattice of electrons: it melts by dissociation of the ripplopolarons when the electrons shed their localizing dimple as the pressure on the multielectron bubble drops below a critical value. Received 20 February 2003 Published online 11 April 2003 RID="a" ID="a"Also at: TU Eindhoven, Eindhoven, The Netherlands e-mail: devreese@uia.ua.ac.be     

The two-dimensional t-t'-U model as a minimal model for cuprate materials

The addition to the Hubbard Hamiltonian of a t' diagonal hopping term, which is considered to be material dependent for high-T _c cuprate superconductors, is generally suggested to obtain a model capable to describe the physics of high-T _c cuprate materials. In this line of thinking, the two-dimensional t-t'-U model has been studied by means of the Composite Operator Method, which allows to determine the dynamics in a fully self-consistent way by use of symmetry requirements, as the ones coming from the Pauli principle. At first, some local quantities have been calculated to be compared with quantum Monte Carlo data. Then, the structure of the energy bands, the shape of the Fermi surface and the position of the van Hove singularity have been computed as functions of the model parameters and studied by the light of the available experimental data. The results of our study show that there exists two sets of parameters that allows the model to describe the relevant features of the 1-layer compounds Nd_2-xCe_xCuO₄ and La_2-xSr_xCuO₄. On the other hand, for the 2-layer compound YBa₂Cu₃O _{7 - δ} is not possible to find a reasonable set of parameters which could reproduce the position of the van Hove singularity as predicted by ARPES experiments. Hence, it results questionable the existence of an unique model that could properly describe the variety of cuprate superconductors, as the two-dimensional t-t'-U model was thought to be. Received 29 March 2000 and Received in final form 10 August 2000     

The calculation of the chemisorption energy using the new diagram technique for the Anderson model

Using the perturbation expansion in the rebonding interaction near the surface molecule limit, the new diagram technique for the calculation of the chemisorption energy in the Anderson model is proposed. The new expression for the chemisorption energy in the ring diagram approximation is presented. The approximate expression for the contribution of the non- ring diagrams is suggested. The chemisorption energies are calculated and compared with the available exact results and others in the literature. A simple explanation of observable trends in hydrogen chemisorption energies along the transition metal series is given based on the rebonding surface molecule picture. Received 8 July 1999 and Received in final form 24 January 2000     

A theoretical analysis of the magnetic properties of La<Subscript>2</Subscript>CuO<Subscript>4</Subscript>

The magnetic properties of the La₂CuO₄ are analyzed by means of the paramagnetic solution of the Hubbard model within the composite operator method. The experimental findings of the inelastic neutron magnetic scattering [R. Coldea et al., Phys. Rev. Lett. 86, 5377 (2001)] for the spin spectrum, the spin-wave intensity and the behavior of the dispersion at the zone boundary are well described by our results although the difference in phase. The Hubbard model emerges has a minimal model capable to describe the anomalous magnetic behavior of such a strongly correlated material. Received 29 July 2002 / Received in final form 2 January 2003 Published online 14 March 2003     

Electronic structure of three-dimensional quantum dots

We study the electronic structure of three-dimensional quantum dots using the Hartree-Fock approximation. The confining potential of the electrons in the quantum dot is assumed to be spatially isotropic and harmonic. For up to 40 interacting electrons the ground-state energies and ground-state wavefunctions are calculated at various interaction strengths. The quadrupole moments and electron densities in the quantum dot are computed. Hund's rule is confirmed and a shell structure is identified via the addition energies and the quadrupole moments. While most of the shell structure can be understood on the basis of the unperturbed non-interacting problem, the interplay of an avoided crossing and the Coulomb interaction results in an unexpected closed shell for 19 electrons. Received 5 November 2001 / Received in final form 12 November 2002 Published online 1st April 2003 RID="a" ID="a"e-mail: vorrath@physnet.uni-hamburg.de     

Magneto-electronic properties of the AA- and ABC-stacked graphites

In this study, we apply the tight-binding method to magneto-electronic properties of the AA- and ABC-stacked graphites, which are strongly dependent on the interlayer interactions, the magnetic field, and the stacking sequences. First of all, the interlayer interactions induce the significant changes in the energy dispersions, the band symmetry about the Fermi level, the overlap between valence and conduction bands, the band width, and the band-edge states or the symmetry points. Then, the magnetic field induces the Peierls phase in the Bloch functions and thus strongly affects the energy dispersions of the Landau Levels, the subband spacings, the energy width, and the special structures in density of states (DOS). Finally, the stacking sequences dominates over the low-energy band overlap and the anisotropy of energy bands. The effects mentioned above are exactly reflected in the density of state. Here, DOS exhibits the 3D, 2D, and 1D characteristics.