Magnetic phases of the Hubbard model

Employing the self consistent binary alloy approximation we obtain the ground state of the Hubbard model for various values of the electron concentration and the Coulomb repulsion U.     

A doubly degenerate Hubbard model in the strongly correlated limit

Using a doubly degenerate Hubbard model we derive an effective Hamiltonian in the limiting case where the Coulomb repulsion is much greater than the hopping constant. A brief discussion of this Hamiltonian is given.     

Quasi-one-dimensional quantum ferrimagnets

We present an exact diagonalization study of the half-filled Hubbard model on bipartite quasi-one-dimensional lattices. In particular, we emphasize the dependence of the ferrimagnetic ground state properties, and its associated magnetic excitations, on the Coulomb repulsion U.     

Transport properties determinations of the one-dimensional,half-filled band Holstein-Frölich modified Hubbard model

The magnetic susceptibility, electrical conductivity, and specific heat of the Holstein-Fröhlich modified Hubbard model are obtained with the restriction that the chemical potential μ be identically equal to one-half the intra-atomic electronic Coulomb repulsion U. Contributions to the conductivity for all driving frequencies ω are obtained. The specific heat calculation yields electron-phonon interaction corrections, but the susceptibility results are the same as those for the insulator limit Hubbard model.     

Incommmensurability and unconventional superconductor to insulator transition in the hubbard model with bond-charge interaction

We determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction X in addition to the usual Coulomb repulsion U>0 at half-filling. For large enough X相似文献   

Gossamer superconductor,Mott insulator,and resonating valence bond state in correlated electron systems

Gutzwiller variational method is applied to an effective two-dimensional Hubbard model to examine the recently proposed gossamer superconductor by Laughlin (LANL cond-mat/0209269). The ground state at half filled electron density is a gossamer superconductor for smaller intrasite Coulomb repulsion U and a Mott insulator for larger U. The gossamer superconducting state is similar to the resonating valence bond superconducting state, except that the chemical potential is approximately pinned at the mid of the two Hubbard bands away from the half filled.     

Evolution of Bond-Order-Wave Phase in One-Dimensional Mott Insulators

In this paper, by using the level spectroscopy method and bosonization theory, we discuss the evolution of the bond-order-wave （BOW） phase in a one-dimensional half-filled extended Hubbard model wlth the on-site Coulomb repulsion U as well as the inter-site Coulomb repulsion V and antiferromagnetic exchange J. After clarifying the generic phase diagrams in three limiting cases with one of the parameters being fixed at zero individually, we find that the BOW phase in the U-V phase diagram is initially enlarged as J increases from zero but is eventually suppressed as J increases further in the strong-coupling regime. A three-dimensional phase diagram is suggested where the BOW phase exists in an extended region separated from the spin-density-wave and charge-density-wave phases.     

Quasiperiodic hubbard chains

Low-energy properties of half-filled Fibonacci Hubbard models are studied by weak-coupling renormalization group and density matrix renormalization group methods. In the case of diagonal modulation, weak Coulomb repulsion is irrelevant and the system behaves as a free Fibonacci chain, while for strong Coulomb repulsion the charge sector becomes a Mott insulator and the spin sector behaves as a uniform Heisenberg antiferromagnetic chain. The off-diagonal modulation always drives the charge sector to a Mott insulator and the spin sector to a Fibonacci antiferromagnetic Heisenberg chain.     

On the theory of superconductivity in the extended Hubbard model

A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal and pair Green functions expressed in terms of the Hubbard operators is derived. The self-energy is obtained in the noncrossing approximation. In the normal state, antiferromagnetic short-range correlations result in the electronic spectrum with a narrow bandwidth. We calculate superconducting T _c by taking into account the pairing mediated by charge and spin fluctuations and phonons. We found the d-wave pairing with high-T _c mediated by spin fluctuations induced by the strong kinematic interaction for the Hubbard operators. Contributions to the d-wave pairing coming from the intersite Coulomb repulsion and phonons turned out to be small.     

Evolution of Bond-Order-Wave Phase in One-Dimensional Mott Insulators

In this paper, by using the level spectroscopy method and bosonization theory, we discuss the evolution of the bond-order-wave (BOW) phase in a one-dimensional half-filled extended Hubbard model with the on-site Coulomb repulsion U as well as the inter-site Coulomb repulsion V and antiferromagnetic exchange J. After clarifying the generic phase diagrams in three limiting cases with one of the parameters being fixed at zero individually, we find that the BOW phase in the U-V phase diagram is initially enlarged as J increases from zero but is eventually suppressed as J increases further in the strong-coupling regime. A three-dimensional phase diagram is suggested where the BOW phase exists in an extended region separated from the spin-density-wave and charge-density-wave phases.     

Effect of Coulomb repulsion on spin and orbital magnetism of cobalt–benzene complex: A relativistic density functional study

We have demonstrated electronic configurations and magnetic properties of single Co adatom on benzene (Bz) molecule in the framework of relativistic density functional theory. A sequence of fixed spin moment (FSM) calculations were carried out with and without Coulomb repulsion (U). We have investigated that varying the strength of Coulomb repulsion results to different equilibrium positions for the Co adatom on benzene molecule. It was shown that inclusion of the on-site Coulomb repulsion in the Co 3d orbitals affects significantly the geometry of Co–Bz complex. We also found two stable low-spin and high-spin multiplicities for the complex. The nature of the high-spin configuration was explained according to the Hubbard electron–electron correlation in 3d shell of the Co adatom. Our FSM results indicate that the high-spin state is a global minimum in the presence of Hubbard parameter U. The relativistic spin–orbit coupling and using orbital polarization correction induce considerable orbital magnetism in both low and high spin states of the Co–Bz complex. We have also calculated magnetic anisotropy energies for two spin states and we found out that an out-of-plane magnetic orientation of Co adatom is more favorable in the low spin state whereas the Coulomb repulsion (U = 2 eV and U = 4 eV) predicts an in-plane magnetic orientation for Co adatom. Our findings can be implicitly taken into account for the extended system of added single Co atom on graphene.     

E.S.R. spectra of the radicals produced in γ-irradiated diborane in the solid state

The hopping and Coulomb repulsion integrals of the Hubbard model, as applied to the NMP-TCNQ charge-transfer crystal, are found by an INDO calculation of the neutral and charged monomer and dimer of TCNQ. The ratio of these integrals is in satisfactory agreement with experiment, although the calculated integrals themselves are very different from the effective ones for electronic transport, due to renormalization, caused largely by counter-ion polarizability.     

On the density of states for the Hubbard model: Pseudo-particle Keldysh diagram method—an alternative to DMFT?

It is shown how to construct Keldysh diagram technique for pseudo-particle approach to the Hubbard model. We propose self-consistent equations for pseudo particle and electron Green’s functions in Keldysh diagram technique. Nonlocal effects (spatial dispersion) are included in single impurity problem in this method. Thus we can get rid of the artificial central peak (of Kondo type) in the density of states which is inevitable in Dynamical Mean Field Theory (DMFT). The changes in the density of states for 2D Hubbard model due to variation of Coulomb repulsion U and electron concentration are analyzed.     

Nagaoka Ferromagnetism in Two-Band Hubbard Model

In the present paper, we investigate the existence of ferromagnetism in a two-band Hubbard model, by applying a recently-introduced method by us to study ferromagnetism in metallic clusters. We prove rigorously that the ground state of this model is ferromagnetic if the intra-orbital Coulomb repulsion between electrons is infinitely strong and only one hole exists in the system. Our theorem improves a previous result. Furthermore, our method can also be applied to deal with the case of multiple holes.     

Gossamer superconductivity near antiferromagnetic Mott insulator in layered organic conductors

Layered organic superconductors are on the verge of the Mott insulator. We use the Gutzwiller variational method to study a two-dimensional Hubbard model including a spin exchange coupling term as a minimal model for the compounds. The ground state is found to be a Gossamer superconductor at small on-site Coulomb repulsion U and an antiferromagnetic Mott insulator at large U, separated by a first order phase transition. Our theory is qualitatively consistent with major experiments reported in organic superconductors.     

Bond-located phases driven by exchange interaction in the one-dimensional t-U-V-J model

The one-dimensional half-filled extended Hubbard model with on-site repulsion (U) and nearest-neighbor interactions including Coulomb repulsion (V) and exchange (J) is studied in the weak-coupling regime. We present a theoretical argument for the occurrence of bond-located phases. The bond-charge-density-wave (BCDW) is realized for J>0 and bond-spin-density-wave (BSDW) occurs for J<0.     

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     

Quasi‐particle peak due to magnetic order in strongly correlated electron systems

We study the electron spectral function of the antiferromagnetically ordered phase of the three dimensional Hubbard model, using recently formulated low‐energy theory based on the 2D half‐filled Hubbard model which describes both collective spin and charge fluctuations for arbitrary value of the Coulomb repulsion U. The model then is solved by a saddle‐point approximation within the CP¹ representation for the Neel field. The single‐particle properties are obtained by writing the fermion field in terms of a U(1) phase, Schwinger boson SU(2) fields and a pseudofermion variables. We demonstrate that the appearance of a sharp peak in the electron spectral function in the antiferromagnetic state points to the emergence of the bosonic mode, which is associated with spin ordering.     

The effect of local electronic interaction on the optical properties of boron–nitride nanotubes

We investigate the behavior of optical absorption of boron–nitride nanotubes (6,0) in the context of Hubbard model at the paramagnetic sector. GW approximation has been implemented in order to make self-energy matrix of electronic system. Afterwards, the real and imaginary parts of transverse dielectric functions have been obtained using linear response theory. The results show that the frequency gap in the optical absorption decreases with Coulomb repulsion strength. Moreover the results show that the local Coulomb interaction leads to the appearance of the excitonic effects in the optical spectrum. Finally the effects of electronic concentration on the frequency behavior of imaginary part of dielectric function have been investigated.     

Excitons in the one-dimensional Hubbard model: a real-time study

We study the real-time dynamics of a hole and doubly occupied site pair, namely, a holon and a doublon, in a 1D Hubbard insulator with on-site and nearest-neighbor Coulomb repulsion. Our analysis shows that the pair is long-lived and the expected decay mechanism to underlying spin excitations is actually inefficient. For a nonzero intersite Coulomb repulsion, we observe that part of the wave function remains in a bound state. Our study also provides insight on the holon-doublon propagation in real space. Because of the one-dimensional nature of the problem, these particles move in opposite directions even in the absence of an applied electric field. The potential relevance of our results to solar cell applications is discussed.