Nature of the Peierls- to Mott-insulator transition in 1D

In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using quasi-exact numerical techniques. In the adiabatic limit the transition is connected to the band to Mott insulator transition of the ionic Hubbard model. Depending on the strengths of the electron-phonon coupling and the Hubbard interaction the transition is either first order or evolves continuously across a narrow intermediate phase with finite spin, charge, and optical excitation gaps. Received 7 July 2002 / Received in final form 21 October 2002 Published online 27 January 2003 RID="a" ID="a"e-mail: holger.fehske@physik.uni-greifswald.de     

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     

Two interacting particles in a disordered chain II: Critical statistics and maximum mixing of the one body states

For two particles in a disordered chain of length L with on-site interaction U, a duality transformation maps the behavior at weak interaction onto the behavior at strong interaction. Around the fixed point of this transformation, the interaction yields a maximum mixing of the one body states. When (the one particle localization length), this mixing results in weak chaos accompanied by multifractal wave functions and critical spectral statistics, as in the one particle problem at the mobility edge or in certain pseudo-integrable billiards. In one dimension, a local interaction can only yield this weak chaos but can never drive the two particle system to full chaos with Wigner-Dyson statistics. Received: 22 May 1998 / Received in final form: 24 August 1998 / Accepted: 4 September 1998     

Born effective charge reversal and metallic threshold state at a band insulator-Mott insulator transition

We study the quantum phase transition between a band (“ionic”) insulator and a Mott-Hubbard insulator, realized at a critical value in a bipartite Hubbard model with two inequivalent sites, whose on-site energies differ by an offset . The study is carried out both in D=1 and D=2 (square and honeycomb lattices), using exact Lanczos diagonalization, finite-size scaling, and Berry's phase calculations of the polarization. The Born effective charge jump from positive infinity to negative infinity previously discovered in D=1 by Resta and Sorella is confirmed to be directly connected with the transition from the band insulator to the Mott insulating state, in agreement with recent work of Ortiz et al. In addition, symmetry is analysed, and the transition is found to be associated with a reversal of inversion symmetry in the ground state, of magnetic origin. We also study the D=1 excitation spectrum by Lanczos diagonalization and finite-size scaling. Not only the spin gap closes at the transition, consistent with the magnetic nature of the Mott state, but also the charge gap closes, so that the intermediate state between the two insulators appears to be metallic. This finding, rationalized within Hartree-Fock as due to a sign change of the effective on-site energy offset for the minority spin electrons, underlines the profound difference between the two insulators. The band-to-Mott insulator transition is also studied and found in the same model in D=2. There too we find an associated, although weaker, polarization anomaly, with some differences between square and honeycomb lattices. The honeycomb lattice, which does not possess an inversion symmetry, is used to demonstrate the possibility of an inverted piezoelectric effect in this kind of ionic Mott insulator. Received 21 May 1999     

Comparative study of the critical behavior in one-dimensional random and aperiodic environments

We consider cooperative processes (quantum spin chains and random walks) in one-dimensional fluctuating random and aperiodic environments characterized by fluctuating exponents . At the critical point the random and aperiodic systems scale essentially anisotropically in a similar fashion: length (L) and time (t) scales are related as . Also some critical exponents, characterizing the singularities of average quantities, are found to be universal functions of , whereas some others do depend on details of the distribution of the disorder. In the off-critical region there is an important difference between the two types of environments: in aperiodic systems there are no extra (Griffiths)-singularities. Received: 5 February 1998 / Accepted: 17 April 1998     

Spin and charge order in Mott insulators and d-wave superconductors

We argue that aspects of the anomalous, low temperature, spin and charge dynamics of the high temperature superconductors can be understood by studying the corresponding physics of undoped Mott insulators. Such insulators display a quantum transition from a magnetically ordered Néel state to a confining paramagnet with a spin gap; the latter state has bond-centered charge order, a low energy S=1 spin exciton, confinement of S=1/2 spinons, and a free S=1/2 moment near non-magnetic impurities. We discuss how these characteristics, and the quantum phase transitions, evolve upon doping the insulator into a d-wave superconductor. This theoretical framework was used to make a number of predictions for STM measurements and for the phase diagram of the doped Mott insulator in an applied magnetic field.     

Charge states of transition metal in “Cr, Co and Ni” doped Ln0.5Ca0.5MnO3 CMR manganites

The XAS study at Cr, Co, Ni and Mn K-edges was performed for the doped CMR manganites Ln_0.5Ca_0.5Mn_1-xB_xO₃ with Ln=La, Nd, Sm and B= Cr, Co, Ni (), on the samples that were studied previously for their ferromagnetic-metallic to antiferromagnetic-insulator transition. We observed that the formal charges of the doping elements are Ni²⁺, Co²⁺ and Cr³⁺. It is also evidenced that the average formal charge of the manganese is increased after doping, in agreement with the charge compensation keeping “O₃” stoichiometry. These results suggest that the doping elements participate directly to the band structure. Received: 9 January 1998 / Received in final form: 6 April 1998 / Accepted: 7 April 1998     

Nonequilibrium photo dynamics of low-dimensional strongly correlated electron systems

One of the outstanding contemporary challenges in condensed matter physics is to understand the dynamics of interacting quantum systems exposed to an external perturbation. We theoretically examine nonequilibrium photo dynamics and its interplay of charge, spin, and lattice degrees of freedom on a Hubbard-Holstein chain in one dimension and a t-J-Holstein square lattice in two dimensions. In the chain, performing dynamical density-matrix renormalization group calculations, we find that many phonons generated dynamically after photo irradiation in Mott insulators cause initial relaxation process. On the other hand, in the square lattice with model parameters as relevant for cuprates, a Lanczos-type exact diagonalization calculation shows that the majority of absorbed energy flows into spin subsystem rather than phonon subsystem.     

The smooth structural change in mesoscopic Peierls chains

We investigate the Peierls transition in finite chains by exact (Lanczos) diagonalization and within a seminumerical method based on the factorization of the electron-phonon wave function (Adiabatic Ansatz, AA). AA can be applied for mesoscopic chains up to micrometer sizes and its reliability can be checked self-consistently. Our study demonstrates the important role played for finite systems by the tunneling in the double well potential. The chains are dimerized only if their size N exceeds a critical value N_c which increases with increasing phonon frequency. Quantum phonon fluctuations yield a broad transition region. This smooth Peierls transition contrasts not only to the sharp mean field transition, but also with the sharp RPA soft mode instability, although RPA partially accounts for quantum phonon fluctuations. For weak coupling the dimerization disappears below micrometer sizes; therefore, this effect could be detected experimentally in mesoscopic systems. Received: 3 January 1998 / Revised: 13 March 1998 / Accepted: 3 April 1998     

Some comments on Kondo lattices and the Mott transition

The so called exhaustion problem occurs when few electrons have to screen many spins in a metal with magnetic impurities. A singlet Fermi liquid ground state is possible only if all impurities are “isotropized” in such a way as to suppress their entropy. That takes a time and the corresponding energy limits the Fermi liquid range. The present note explores that issue of time and energy scales, and it concludes that is much smaller than the single impurity Kondo temperature. Similarly the relevant energy scale is proportional to the number of electrons. Recent results on the Mott metal insulator transition in infinite dimension are reconsidered in the light of these results: controversies in that respect are shown to reduce to a simple physical question, with no firm answer as to now. Received: 5 May 1998 / Received in final form and Accepted: 29 July 1998     

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.     

to -12pt [-12pt]to 16ptRapid Note Wavefunctions for the Luttinger liquid

Standard bosonization techniques lead to phonon-like excitations in a Luttinger liquid (LL), reflecting the absence of Landau quasiparticles in these systems. Yet in addition to the above excitations some LL are known to possess solitonic states carrying fractional quantum numbers (e.g. the spin 1/2 Heisenberg chain). We have reconsidered the zero modes in the low-energy spectrum of the Gaussian boson LL Hamiltonian both for fermionic and bosonic LL: in the spinless case we find that two elementary excitations carrying fractional quantum numbers allow to generate all the charge and current excited states of the LL. We explicitly compute the wavefunctions of these two objects and show that one of them can be identified with the 1D version of the Laughlin quasiparticle introduced in the context of the Fractional Quantum Hall effect. For bosons, the other quasiparticle corresponds to a spinon excitation. The eigenfunctions of Wen's chiral LL Hamiltonian are also derived: they are quite simply the one dimensional restrictions of the 2D bulk Laughlin wavefunctions. Received 26 January 1999 and Received in final form 21 April 1999     

Finite temperature spectral function of Mott insulators and charge density wave states

We calculate the low-temperature spectral function of one-dimensional incommensurate charge density wave states and half filled Mott insulators. At T=0 there are two dispersing features associated with the spin and charge degrees of freedom, respectively. We show that already at very low temperatures (compared to the gap) one of these features gets severely damped. We comment on implications of this result for photoemission experiments.     

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     

Specific heats of the charge density wave compounds o-TaS and (TaSe ) I

Specific heats of the charge-density-wave compounds o-TaS₃ and (TaSe₄)₂I have been measured over the wide temperature interval 10 K-300 K. Both systems exhibit strong non-Debye behavior. Very weak and broad anomalies are observed at the Peierls transition temperatures. For o-TaS₃, the change in the curvature of the specific heat occurs at temperature of 40 K where glass transition has been deduced from dielectric measurements, and an extended scaling analysis suggests that the glass transition is associated with a dynamical cross over in length scales. We briefly discuss the characteristics and physical origins of the anomalies at both the Peierls and glass transitions. Received 5 April 2002 / Received in final form 28 June 2002 Published online 17 September 2002     

On evaluation of transverse spin fluctuations in quantum magnets

A numerical method is described for evaluating transverse spin correlations in the random phase approximation. Quantum spin-fluctuation corrections to sublattice magnetization are evaluated for the antiferromagnetic ground state of the half-filled Hubbard model in two and three dimensions in the whole U/t range. Extension to the case of defects in the AF is also discussed for spin vacancies and low-U impurities. In the limit, the vacancy-induced enhancement in the spin fluctuation correction is obtained for the spin-vacancy problem in two dimensions, for vacancy concentration up to the percolation threshold. For low-U impurities, the overall spin fluctuation correction is found to be strongly suppressed, although surprisingly spin fluctuations are locally enhanced at the low-U sites. Received 27 April 1998 and Received in final form 13 August 1998     

Truncated Lévy laws and 2D turbulence

We study the probability distribution functions and scaling properties of truncated Lévy processes with sharp cut-offs. We find that they display features analog to those observed in some 2D numerical simulations of turbulence. Received: 29 October 1997 / Revised: 12 February 1998 / Accepted: 10 April 1998     

Dynamical spin and charge response functions in the doped two-dimensional Hubbard model

Dynamical properties of the spin and charge response functions in the doped two-dimensional Hubbard model are calculated by taking into account the drastic separation of the single-particle spectral function into the low-energy coherent and high-energy incoherent parts due to the strong Coulomb interaction. We show that this evolution of the electronic states is the origin of the broad and structureless feature in the charge response function. In the weak coupling regime the low-energy enhancement of the spin excitation is produced which can be explained within the random phase approximation. However, for the larger interaction close to the antiferromagnetic Stoner condition, the low-energy intensity of the spin excitation is suppressed. Received: 25 September 1997 / Revised: 19 December 1997 / Accepted: 9 January 1998     

Quantum charge density fluctuations and the phase transition in Ce

We have calculated the quantum quadrupolar interaction due to charge density fluctuations of localized 4f-electrons in Ce by taking into account the angular dependence, the degeneracy of the localized 4f -orbitals and the spin-orbit coupling. The calculated crystal field of 4 f electronic states is in good agreement with neutron diffraction measurements. We show that orientational ordering of quantum quadrupoles drives a phase transition at K which we assign with the transformation. In the phase the centers of mass of the Ce atoms still form a face centered cubic lattice. The theory accounts for the first order character of the transition and for the cubic lattice contraction which accompanies the transition. The transition temperature increases linearly with pressure. Our approach does not involve Kondo spin fluctuations as the significant process for the phase transition. Received 19 October 1998