Charge density waves and bond order waves in a quarter filled extended Hubbard ladder

We investigate the phase diagram of a quarter filled Hubbard ladder with nearest-neighbor Coulomb repulsion using bosonization and renormalization group approach. Focusing on the strong-repulsion regime, we discuss the effect of an interchain exchange interaction J and interchain repulsion V on the possible ground states of the system and charge order configurations. Since the spin excitations always possess a gap, we find competing bond-order wave and charge density wave phases as possible ground states of the ladder model. We discuss the elementary excitations in these various phases and point an analogy between the excitations on some of these phases and those of a Kondo-Heisenberg insulator. We also study the order of the quantum phase transitions between the different ground states of the system. We obtain second order transitions in the Ising or SU(2)₂ universality class or first order transitions. We map the complete phase diagram in the J –V plane by integrating perturbative renormalization-group equations. Finally, we discuss the effect of doping away from half-filling and the effect of an applied magnetic field.     

Superconductivity with s and p symmetries in an extended Hubbard model with correlated hopping

We consider a generalized Hubbard model with on-site and nearest-neighbour repulsions U and V respectively, and nearest-neighbour hopping for spin up (down) which depends on the total occupation n_b of spin down (up) electrons on both sites involved. The hopping parameters are t _AA , t_AB and t_BB for n _b =0,1,2 respectively. We briefly summarize results which support that the model exhibits s-wave superconductivity for certain parameters and extend them by studying the Berry phases. Using a generalized Hartree-Fock(HF) BCS decoupling of the two and three-body terms, we obtain that at half filling, for t _AB <t _AA =t _BB and sufficiently small U and V the model leads to triplet p-wave superconductivity for a simple cubic lattice in any dimension. In one dimension, the resulting phase diagram is compared with that obtained numerically using two quantized Berry phases (topological numbers) as order parameters. While this novel method supports the previous results, there are quantitative differences. Received: 2 February 1998 / Accepted: 17 March 1998     

Commensurate-incommensurate transition in two-coupled chains of nearly half-filled electrons

We investigate the physical properties of two coupled chains of electrons, with a nearly half-filled band, as a function of the interchain hopping t _⊥ and the doping. We show that upon doping, the system undergoes a metal-insulator transition well described by a commensurate-incommensurate transition. By using bosonization and renormalization we determine the full phase diagram of the system, and the physical quantities such as the charge gap. In the commensurate phase two different regions, for which the interchain hopping is relevant and irrelevant exist, leading to a confinement-deconfinement crossover in this phase. A minimum of the charge gap is observed for values of t _⊥ close to this crossover. At large t _⊥ the region of the commensurate phase is enhanced, compared to a single chain. At the metal-insulator transition the Luttinger parameter takes the universal value K _ρ ^* = 1, in agreement with previous results on special limits of this model. Received 31 July 2000     

Spin 3/2 fermions with attractive interactions in a one-dimensional optical lattice: phase diagrams,entanglement entropy,and the effect of the trap

We study spin 3/2 fermionic cold atoms with attractive interactions confined in a one-dimensional optical lattice. Using numerical techniques, we determine the phase diagram for a generic density. For the chosen parameters, one-particle excitations are gapped and the phase diagram is separated into two regions: one where the two-particle excitation gap is zero, and one where it is finite. In the first region, the two-body pairing fluctuations (BCS) compete with the density ones. In the other one, a molecular superfluid (MS) phase, in which bound-states of four particles form, competes with the density fluctuations. The properties of the transition line between these two regions is studied through the behavior of the entanglement entropy. The physical features of the various phases, comprising leading correlations, Friedel oscillations, and excitation spectra, are presented. To make the connection with experiments, the effect of a harmonic trap is taken into account. In particular, we emphasize the conditions under which the appealing MS phase can be realized, and how the phases could be probed by using the density profiles and the associated structure factor. Lastly, the consequences on the flux quantization of the different nature of the pairing in the BCS and MS phases are studied in a situation where the condensate is in a ring geometry.     

Bounds on bipartitely shared entanglement reduced from superposed tripartite quantum states

For a tripartite pure state superposed by two individual states, the bipartitely shared entanglement can always be achieved by local measurements of the third party. Consider the different aims of the third party, i.e. maximizing or minimizing the bipartitely shared entanglement, we find bounds on both the possible bipartitely shared entanglement of the superposition state in terms of the corresponding entanglement of the two states being superposed. In particular, by choosing the concurrence as bipartite entanglement measure, we obtain calculable bounds for tripartite (2 ⊗ 2 ⊗ n)-dimensional cases.     

Impurity scattering in f-wave superconductor UPt 3

We study theoretically the effect of impurity scattering in f-wave (or E_2u) superconductors. The quasi-particle density of states of f-wave superconductor is very similar to the one for d-wave superconductor as in hole-doped high T _c cuprates. Also in spite of anisotropy in Δ( ), both the reduced superfluid density and the reduced electronic thermal conductivity is completely isotropic. Received 11 October 2000     

Two regimes in the magnetic field response of superconducting MgB<Subscript>2</Subscript>

Using Scanning Tunneling Microscope at low temperature we explore the superconducting phase diagram in the π-band of the two-band superconductor MgB₂. In this band the peculiar shape of the local tunneling spectra and their dynamics in the magnetic field reveal the complex character of the quasiparticle density of states (DOS). The gap in the DOS is first rapidly filled with states in raising the magnetic field up to 0.5 T and then slowly approaches the normal state value: the gap is observed up to 2 T. Such a change in the DOS dynamics suggests the existence of two terms in the DOS of the π-band: a first one, reflecting an intrinsic superconductivity in the band and a second one, originating from an inter-band coupling to the σ-band. Our findings allow a deeper understanding of the unique phase diagram of MgB₂.     

A local moment approach to the gapped Anderson model

We develop a non-perturbative local moment approach (LMA) for the gapped Anderson impurity model (GAIM), in which a locally correlated orbital is coupled to a host with a gapped density of states. Two distinct phases arise, separated by a level-crossing quantum phase transition: a screened singlet phase, adiabatically connected to the non-interacting limit and as such a generalized Fermi liquid (GFL); and an incompletely screened, doubly degenerate local moment (LM) phase. On opening a gap (δ) in the host, the transition occurs at a critical gap δ_c, the GFL [LM] phase occurring for δ<δ_c [ δ>δ_c] . In agreement with numerical renormalization group (NRG) calculations, the critical δ_c = 0 at the particle-hole symmetric point of the model, where the LM phase arises immediately on opening the gap. In the generic case by contrast δ_c > 0, and the resultant LMA phase boundary is in good quantitative agreement with NRG results. Local single-particle dynamics are considered in some detail. The major difference between the two phases resides in bound states within the gap: the GFL phase is found to be characterised by one bound state only, while the LM phase contains two such states straddling the chemical potential. Particular emphasis is naturally given to the strongly correlated, Kondo regime of the model. Here, single-particle dynamics for both phases are found to exhibit universal scaling as a function of scaled frequency ω/ω_m ⁰ for fixed gaps δ/ω_m ⁰, where ω_m ⁰ is the characteristic Kondo scale for the gapless (metallic) AIM; at particle-hole symmetry in particular, the scaling spectra are obtained in closed form. For frequencies |ω|/ω_m ⁰ ≫δ/ω_m ⁰, the scaling spectra are found generally to reduce to those of the gapless, metallic Anderson model; such that for small gaps δ/ω_m ⁰≪ 1 in particular, the Kondo resonance that is the spectral hallmark of the usual metallic Anderson model persists more or less in its entirety in the GAIM.     

Breakdown of Luttinger's theorem in two-orbital Mott insulators

An analysis of Luttinger's theorem shows that – contrary to recent claims – it is not valid for a generic Mott insulator. For a two-orbital Hubbard model with two electrons per site the crossover from a non-magnetic correlated insulating phase (Mott or Kondo insulator) to a band insulator is investigated. Mott insulating phases are characterized by poles of the self-energy and corresponding zeros in the Greens functions defining a “Luttinger surface” which is absent for band insulators. Nevertheless, the ground states of such insulators with two electrons per unit cell are adiabatically connected.     

Competition of disorder and interchain hopping in a two-chain Hubbard model

We study the interplay of Anderson localization and interaction in a two chain Hubbard ladder allowing for arbitrary ratio of disorder strength to interchain coupling. We obtain three different types of spin gapped localized phases depending on the strength of disorder: a pinned 4k _F Charge Density Wave (CDW) for weak disorder, a pinned 2k _F CDW^π for intermediate disorder and two independently pinned single chain 2k _F CDW for strong disorder. Confinement of electrons can be obtained as a result of strong disorder or strong attraction. We give the full phase diagram as a function of disorder, interaction strength and interchain hopping. We also study the influence of interchain hopping on localization length and show that localization is enhanced by a small interchain hopping but suppressed by a large interchain hopping. Received 6 April 2001     

First and second order ferromagnetic transition at in a 1D itinerant system

We consider a modified version of the one-dimensional Hubbard model, the t ₁ - t ₂ Hubbard chain, which includes an additional next-nearest-neighbor hopping. It has been shown that at weak coupling this model has a Luttinger liquid phase or a spin liquid phase depending upon the ratio of t₂ to t₁. Additionally if the on-site interaction U is large enough, the ground state is fully polarized. Using exact diagonalization and the density-matrix renormalization group, we show that the transition to the ferromagnetic phase is either of first or second order depending on whether the Luttinger liquid or spin liquid is being destabilized. Since we work at T =0, the second order transition is a quantum magnetic critical point. Received 21 July 1999     

Two interacting particles in a disordered chain I: Multifractality of the interaction matrix elements

For N interacting particles in a one dimensional random potential, we study the structure of the corresponding network in Hilbert space. The states without interaction play the role of the “sites”. The hopping terms are induced by the interaction. When the one body states are localized, we numerically find that the set of directly connected “sites” is multifractal. For the case of two interacting particles, the fractal dimension associated to the second moment of the hopping term is shown to characterize the Golden rule decay of the non interacting states and the enhancement factor of the localization length. Received: 17 April 1998 / Accepted: 14 May 1998     

Spectral properties of incommensurate charge-density wave systems

The concept of frustrated phase separation is applied to investigate its consequences for the electronic structure of the high T _c cuprates. The resulting incommensurate charge density wave (CDW) scattering is most effective in creating local gaps in k-space when the scattering vector connects states with equal energy. Starting from an open Fermi surface we find that the resulting CDW is oriented along the (10)- and (or) (01)-direction which allows for a purely one-dimensional or a two-dimensional “eggbox type” charge modulation. In both cases the van Hove singularities are substantially enhanced, and the spectral weight of Fermi surface states near the M-points, tends to be suppressed. Remarkably, a leading edge gap arises near these points, which, in the eggbox case, leaves finite arcs of the Fermi surface gapless. We discuss our results with repect to possible consequences for photoemission experiments. Received 14 June 1999     

First principles calculations of structural,electronic and optical properties of various phases of CaS

First principles calculations have been performed within the framework of density functional theory to investigate the structural, electronic and optical properties of all four possible B1, B2, B3 and B4 phases of CaS. Apart from the standard local density approximation (LDA) and GGA (PBE), a more accurate nonempirical density functional generalized gradient approximation (GGA), as proposed by Wu and Cohen [Phys. Rev. B 73, 235116 (2006)] for the exchange-correlation energy, E_XC, has been attempted in these calculations. Calculated electronic structure and the density of states are analyzed in terms of the contribution of Ca d states and S s and p states in determining the nature of the fundamental band gap in various phases. Reflectivity, R (ω), the real and imaginary part of the dielectric functions, ε(ω), have been calculated for all the phases and the results have been discussed and compared with the existing experimental data.     

Spectral properties of doped bilayer cuprates at finite temperatures

Recently, angle-resolved photoemission spectroscopy measurements on Bi₂Sr₂CaCu₂O_8+δ, which possesses two CuO₂ layers in the same unit cell, have yielded very interesting results. For the overdoped samples, these results show a splitting of electronic states near k=(π, 0) point of Brillioun zone. On the other hand, no splitting is observed in the underdoped samples. In view of this, the detailed studies including the doping and temperature dependence of the spectral properties become desirable. In this paper, we consider cuprates possessing two CuO₂ layers per unit cell. Each layer in the system is described by the t-t ¹-J model and the two layers are coupled via an intrabilayer hopping term (t _⊥) and an intrabilayer exchange coupling (J _⊥). A self-consistent perturbation approach is used to calculate the electronic spectral function for different values of hole density, hole momentum and temperature. We find that the imaginary part of the self energy is strongly momentum dependent which contradicts the suggestion that the Fermi surface of cuprates may be described by marginal Fermi liquid theory. We have calculated the spectral function for various values of intrabilayer parameters t _⊥ and J _⊥. For larger values of intrabilayer interactions we observe the splitting in the quasi-particle peak at k=(π, 0) which is in agreement with the recent observations. The splitting is also found to be sensitive to the hole concentration as well as the temperature of the system. We have also discussed the reasons why the splitting is absent in underdoped bilayer cuprates at low temperature.     

Renormalization group analysis of polymer cyclization with non-equilibrium initial conditions

We develop a renormalization group approach for cyclizing polymers for the case when chain ends are initially close together (ring initial conditions). We analyze the behavior at times much shorter than the longest polymer relaxation time. In agreement with our previous work (Europhys. Lett. 73, 621 (2006)) we find that the leading time dependence of the reaction rate k(t) for ring initial conditions and equilibrium initial conditions are related, namely k _ring(t) ∝ t ^-δ and k _eq(t) ∝ t ^1-δ for times less than the longest polymer relaxation time. Here δ is an effective exponent which approaches δ = 5/4 for very long Rouse chains. Our present analysis also suggests a “sub-leading” term proportional to (ln t)/t which should be particularly significant for smaller values of the renormalized reaction rate and early times. For Zimm dynamics, our RG analysis indicates that the leading time dependence for the reaction rate is k(t) ∼ 1/t for very long chains. The leading term is again consistent with the expected relation between ring and equilibrium initial conditions. We also find a logarithmic correction term which we “exponentiate” to a logarithmic form with a Landau pole. The presence of the logarithm is particularly important for smaller chains and, in the Zimm case, large values of the reaction rate.     

A new method for determining excited states of quantum systems

Summary A new method for computing excited states of a given operatorH is here presented. Our procedure is of particular value when its representation requires an orthonormal basis set of large dimension. In order to obtain the excited state ofH nearest in energy to any chosen trial energyE _t, we consider the auxiliary operatorA=(H−E _t)². We show that a reasonable number of relaxations on appropriately generated low-order Krylov subspaces forA is sufficient to produce better and better approximations of its ground state; a high-accuracy final refinement of the ground state ofA is then possible through the standard Lanczos procedure. An important feature of our method is that storage memory limitations, encountered in the conventional determination of all eigenvalues of large systems, are here overcome. As an illustration of the method two significant examples are discussed. In honour of Prof. Fausto Fumi on the occasion of his retirement from teaching.     

Variable-range hopping in Fe70Pt30 catalyzed multi-walled carbon nanotubes film

Using low-pressure chemical vapour deposition (LPCVD), multi-walled carbon nanotubes (MWNTs) are grown on nanocrystalline Fe₇₀Pt₃₀ film. The Fe₇₀Pt₃₀ nanocrystalline film is deposited by vapour condensation technique. The size of the nanoparticles varies from 5–10 nm, as inferred from SEM micrographs of Fe₇₀Pt₃₀ film. SEM and TEM observations of as-grown CNTs film reveal that these are multi-walled and their diameter varies from 30–80 nm and length is of the order of several micrometers respectively. There is a structural change from ordinary geometry of CNTs to bamboo shaped as suggested by TEM image. Raman spectra shows sharp G and D bands with a higher intensity of G band showing the presence of graphitic nature of the nanotubes. An experimental study of the temperature dependence of electrical conductivity of MWNTs film is done over a wide temperature range from (293–4 K). The measured data gives a good fit to variable-range hopping (VRH) and the results are interpreted using Mott's (VRH) model. The conduction mechanism of the MWNTs film shows a crossover from the exp[ -(T_o/T)^1/4] law in the temperature range (293–110 K) to exp[ -(T_m/T)^1/3] in the low temperature range (110–4 K). This behaviour is attributed to temperature-induced transition from three-dimension (3D) to two-dimension (2D) VRH. Various Mott's parameters like characteristic temperature (T_m), density of states at Fermi level N(E_F), localization length (ξ), hopping distance (R), hopping energy (W) have also been calculated using above-mentioned model.     

Luttinger liquid with asymmetric dispersion

We present an extension of the Tomonaga-Luttinger model in which left and right-moving particles have different Fermi velocities. We derive expressions for one-particle Green's functions, momentum-distributions, density of states, charge compressibility and conductivity as functions of both the velocity difference ε and the strength of the interaction β. This allows us to identify a novel restricted region in the parameter space in which the system keeps the main features of a Luttinger liquid but with an unusual behavior of the density of states and the static charge compressibility κ. In particular κ diverges on the boundary of the restricted region, indicating the occurrence of a phase transition. Received 20 May 2002 / Received in final form 23 August 2002 Published online 19 November 2002