Study of the interaction between two electrons in the single band Hubbard model

A single-band Hubbard model has been investigated for two case (1) the 1-D Hubbard ring, (2) the 2-D Hubbard square lattice on a torus. In both cases it is found that the interaction between two electrons is always repulsive in the limit of infiniteU. In 1-D, the pair correlation function is naturally similar to that of spin-less fermions, whilst in 2-D it is quite different.     

Electronic structures and mechanical properties of uranium monocarbide from first-principles and calculations

The electronic structure, elastic constants, Poisson's ratio, and phonon dispersion curves of UC have been systematically investigated from the first-principles calculations by the projector-augmented-wave (PAW) method. In order to describe precisely the strong on-site Coulomb repulsion among the localized U 5f electrons, we adopt the local density approximation (LDA)+U and generalized gradient approximation (GGA)+U formalisms for the exchange correlation term. We systematically study how the electronic properties and elastic constants of UC are affected by the different choice of U as well as the exchange-correlation potential. We show that by choosing an appropriate Hubbard U parameter within the GGA+U approach, most of our calculated results are in good agreement with the experimental data. Therefore, the results obtained by the GGA+U with effective Hubbard parameter U chosen around 3 eV for UC are considered to be reasonable.     

Integrable supersymmetric correlated electron chain with open boundaries

We construct an extended Hubbard model with open boundaries from an R-matrix based on the U_q[Osp(2|2)] superalgebra. We study the reflection equation and find two classes of diagonal solutions. The corresponding one-dimensional open Hamiltonians are diagonalized by means of the Bethe ansatz approach.     

Quantum affine algebras and universalR-matrix with spectral parameter

Using the previously obtained universalR-matrix for the quantized nontwisted affine Lie algebras U _q (A ₁ ⁽¹⁾ ) and U _q (A ₂ ⁽¹⁾ ), we determine the explicitly spectral dependent universalR-matrix for the corresponding quantum Lie algebras U _q (A ₁) and U _q (A ₂). As applications, we reproduce the well known results in the fundamental representations and we also derive an extremely explicit formula of the spectral-dependentR-matrix for the adjoint representation of U _q (A ₂), the simplest nontrivial case when the tensor product decomposition of the representation with itself has nontrivial multiplicity.     

Exact solution of the simplified hubbard model

We present the exact solution of the simplified Hubbard model in which only one kind of electrons can hop and this quantum mechanical hopping of electrons is assumed to be unconstrained. It is shown that the model still behaves nontrivially, although it no longer depends on the lattice structure and the dimensionality of the system. For this case we find: (i) a gap in the ground state energy always exists at the half-filled band point (n=1), (ii) a preferred magnetic state atn=1 and largeU is a total spin singlet, (iii)U-dependence of the ground state energy has qualitatively the same form as one of the conventional Hubbard model with the (t ²/U)-behavior at largeU. A phase diagram of the model is discussed.     

Quantum Entanglement in Ground State of Extended Hubbard Model

Metal-insulator and CDW-SDW transitions are studied in the one-dimensional Extended Hubbard Model at half-filling by analysing the behaviour of local entanglement in fermionic systems. 1D traditional Hubbard model exhibits metal-insulator transition at critical point U_c = 0, where local entanglement reaches its maximum value. Moreover, a transition between charge- and spin-density- wave (CDW-SDW) occurs in 1D Extended Hubbard Model tUV with long-range interaction at straight line U = 2 V. The analysis of our obtained results shows that CDW-SDW transition has curious properties whose can be used in quantum information processing.

     

Analytic properties of different unitarization schemes

The analytic properties of the eikonal and U-matrix unitarization schemes are examined. It is shown that the basic properties of these schemes are identical. Both can fill the full circle of unitarity, and both can lead to standard and non-standard asymptotic relations for σ _el/σ _tot. The relation between the phases of the unitarised amplitudes in each scheme is examined, and it is shown that demanding equivalence of the two schemes leads to a bound on the phase in the U-matrix scheme.     

On a nonstandard two-parametric quantum algebra and its connections withU p,q (gl(2)) andU p,q(gl(1/1))

A quantum algebraU _{p, q} (,H,X _±) associated with a nonstandardR-matrix with two deformation parameters (p, q) is studied and, in particular, its universal -matrix is derived using Reshetikhin's method. Explicit construction of the (p, q)-dependent nonstandardR-matrix is obtained through a coloured generalized boson realization of the universal -matrix of the standardU _{p, q}(gl(2)) corresponding to a nongeneric case. General finite dimensional coloured representation of the universal -matrix ofU _{p, q}(gl(2)) is also derived. This representation, in nongeneric cases, becomes a source for various (p, q)-dependent nonstandardR-matrices. Superization ofU _{p, q}(,H,X _±) leads to the super-Hopf algebraU _{p, q}(gl(1/1)). A contraction procedure then yields a (p, q)-deformed super-Heisenberg algebraU _{p, q}(sh(1)) and its universal -matrix.     

Thermoelectric power of high-T c superconductors using extended Hubbard model

The thermoelectric power (TEP) for a one dimensional lattice has been studied by using the extended Hubbard model in the limitU≠∞, whereU is the on-site Coulomb interaction. A new expression for TEP, derived in this study, has been found to successfully reproduce the experimental results of the insulating samples of different hole- and electron-doped high temperature superconducting systems.     

RVB theory of the Hubbard model on the triangular lattice

We propose a Green's function technique, to investigate finite-temperature properties of the Hubbard model on the triangular lattice. The lattices are covered by dimers. The method is exact in two limits:U=0 or decoupled dimers. We apply this approximate method to calculate the ground state energy, the specific heat and the single-particle spectral weight for the 1/2-filled case. The largest lattice considered has 16×16 sites. The approximate ground state energy as a function of the on-site interactionU oscillates around the exact energyin the 1/2-filled case. We find two peaks in the specific heat. ForU5t the single-particle spectral weight splits into upper and lower Hubbard bandasymmetrically. Thus in the 1/2-filled case the chemical potential is placed in the upper band leading to a metallic state. The approximate technique yields a finite zero-point entropy for mediumU. All the investigations signal a RVB state in the range of mediumU as formerly proposed by Callaway.     

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     

Analysis of thermoelectric power of some insulating high-T c superconductors using extended hubbard model

The thermoelectric power (TEP) for a one-dimensional lattice has been studied using the extended Hubbard model in the limitU ≠ ∞, whereU is the on-site Coulomb interaction. A new expression for TEP has been derived in this study. Our study shows that if theV-dependent term in the extended Hubbard model Hamiltonian is considered as attractive, the new expression for TEP could successfully reproduce the TEP results of high-T _c hole-doped insulating systems of Tl₂Ba₂Ca_1−x Y _x Cu₂O_8+y (Tl-2212) and Bi₂Sr₂Ca_−x Y _x Cu₂O_8+y (Bi-2212).     

Flow equations and the strong-coupling expansion for the Hubbard model

Applying the method of continuous unitary transformations to a class of Hubbard models, we reexamine the derivation of thet/U expansion for the strong-coupling case. The flow equations for the coupling parameters of the higher order effective interactions can be solved exactly, resulting in a systematic expansion of the Hamiltonian in powers oft/U, valid for any lattice in arbitrary dimension and for general band filling. The expansion ensures a correct treatment of the operator products generated by the transformation, and only involves the explicit recursive calculation of numerical coefficients. This scheme provides a unifying framework to study the strong-coupling expansion for the Hubbard model, which clarifies and circumvents several difficulties inherent to earlier approaches. Our results are compared with those of other methods, and it is shown that the freedom in the choice of the unitary transformation that eliminates interactions between different Hubbard bands can affect the effective Hamiltonian only at ordert ³/U² or higher.     

A Particle-Picture Approach to Anomalies in Chiral Gauge Theories

The system of a chiral fermion field coupled to a background gauge field is considered. By taking what we call the particle picture and carefully defining the S-matrix in the Heisenberg picture, we investigate anomalous phenomena in this system. It is shown by explicit calculations that the gauge-field configuration with nonvanishing topological-charge causes anomalous production of particles that is directly responsible for the chiral U(1) anomaly. Unlike the chiral U(1) anomaly, the gauge anomaly, that is, gauge non-invariance of the S-matrix is a problem that arises in the phase of the S-matrix. It is shown that this phase is related to the freedom existing in the quantization method, and that a suitably chosen phase which of course is consistent with the equation of motion can remove the gauge anomaly. Finally, a modified form of path-integral quantization for this system is proposed.     

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     

Absence of saturated ferromagnetism in the two-dimensional Hubbard model with two holes for U=∞

For a square Hubbard lattice with infinite repulsion energy U the following exact result has been obtained: the ferromagnetic state with maximum spin is not the ground state of the system if the number of holes is equal to two. Zh. éksp. Teor. Fiz. 113, 1000–1008 (March 1998)     

A mean field approach to Coulomb blockade for a disordered assembly of quantum dots

The Coulomb blockade (CB) in quantum dots (QDs) is by now well documented. It has been used to guide the fabrication of single electron transistors. Even the most sophisticated techniques for synthesizing QDs (e.g. MOCVD/MBE) result in an assembly in which a certain amount of disorder is inevitable. On the other hand, theoretical approaches to CB limit themselves to an analysis of a single QD. In the present work we consider two types of disorders: (i) size disorder; e.g. QDs have a distribution of sizes which could be unimodal or bimodal in nature. (ii) Potential disorder with the confining potential assuming a variety of shapes depending on growth condition and external fields. We assume a Gaussian distribution in disorder in both size and potential and employ a simplified mean field theory. To do this we rely on the scaling laws for the CB (also termed as Hubbard U) obtained for an isolated QD [1]. We analyze the distribution in the Hubbard U as a consequence of disorder and observe that Coulomb blockade is partially suppressed by the disorder. Further, the distribution in U is a skewed Gaussian with enhanced broadening.      

Hydrostatic pressure driven spin,volume and band gap collapses in SmFeO3: a GGA + U study

The crystal structure, magnetic and electronic properties of SmFeO₃ under hydrostatic pressure have been studied by first-principles calculations within the generalized gradient approximation plus Hubbard U (GGA + U). The iso-structural phase transition with spin, volume and band gap collapses can be induced by a large enough hydrostatic pressure. The high-spin (HS) state of Fe³⁺, with the magnetic moment of ~4 μ_B, is retained at low pressure. The spin crossover occurs at a transition pressure (~68 GPa) with the magnetic moment of Fe³⁺ decreasing to ~1 μ_B in low-spin (LS) state. Meanwhile, the reductions of cell volume (by ~?5.43%) and band gap (from >2 eV to ~1.6 eV) of SmFeO₃ are obtained when the HS–LS transition happens. Finally, the critical pressure of HS–LS transition, magnetic and electronic properties are found to be Hubbard U dependent.     

The uniqueness theorem for the universal R-matrix

Up to now, the universal R-matrix for quantized Kac-Moody algebras is believed to be uniquely determined (for some ansatz) by properties of a quasi-cocommutativity and a quasi-triangularity. We prove here that the universal R-matrix (for the same ansatz) is uniquely determined by the property of the quasi-cocommutativity only. Thus, the quasi-triangular property (and the Yang-Baxter equation!) for the universal R-matrix is a consequence of the linear equation of the quasi-cocommutativity. The proof is based on properties of singular vectors in the tensor product of the Verma modules and the structure of extremal projector for quantized algebras. Explicit expressions of the universal R-matrix for quantized algebras U _q (A _inf1 ^sup(1) ) and U _q (A _inf2 ^sup(2) ) are given.

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Electron capture in the ion-cluster collision: effect of the electronic interaction

We investigate the electron capture occurring in the collision between an ion A⁺ and a cluster A_n (n = 5). The process has been modelled within the Hubbard Hamiltonian,which takes into account the intrasite U electron correlation. An exact procedure has been numerically applied which involves all the excited states to examine the time evolution of the system during the collision. We have applied the model to the sodium case. We have investigated the time evolution of the electron population during the collision on the projectile versus the kinetic energy of the projectile. It displays some oscillations which means that the electron exchanges between the ion and the cluster occurs alternatively in one direction and the other. We also vary U and examine its influence on the dynamics of the oscillation of the average population. Finally the cross section is derived versus the energy and U. Received 29 November 2000