The spin-1/2 Heisenberg chain: thermodynamics, quantum criticality and spin-Peierls exponents

We present numerical and analytical results for the thermodynamical properties of the spin-1/2 Heisenberg chain at arbitrary external magnetic field. Special emphasis is placed on logarithmic corrections in the susceptibility and specific heat at very low temperatures (T/J=10^-24) and small fields. A longstanding controversy about the specific heat is resolved. At zero temperature the spin-Peierls exponent is calculated in dependence on the external magnetic field. This describes the energy response of the system to commensurate and incommensurate modulations of the lattice. The exponent for the spin gap in the incommensurate phase is given. Received: 12 February 1998 / Received in final form: 15 March 1998 / Accepted: 17 March 1998     

Low temperature thermodynamics of inverse square spin models in one dimension

We present a field-theoretic renormalization group calculation in two loop order for classical O(N)-models with an inverse square interaction in the vicinity of their lower critical dimensionality one. The magnetic susceptibility at low temperatures is shown to diverge like with a=(N-2)/(N-1) and . From a comparison with the exactly solvable Haldane-Shastry model we find that the same temperature dependence applies also to ferromagnetic quantum spin chains. Received: 20 February 1998 / Revised: 27 April 1998 / Accepted: 30 April 1998     

Phase diagram of randomly polymerized membrane

Using a replica formalism, a generalization of a recent mean field model corresponding to the observed wrinkling transition in randomly polymerized membranes is presented. In this model we study the effects of global fluctuations of the surface normals to the flat membrane, which can be introduced by a random local field. In absence of these global fluctuations, we show that, the model exhibits both continuous and discontinuous transitions between flat and wrinkled phases, contrary to what has been predicted by Bensimon et al. and Attal et al. Phase diagrams both in replica symmetry and in breaking of replica symmetry in sense of Almeida and Thouless are given. We have also investigated the effects of global fluctuations on the replica symmetry phase diagram. We show that, the wrinkled phase is favored and the flat phase is unstable. For large global fluctuations, the transition between wrinkled and flat phases becomes first order. Received: 3 December 1997 / Revised: 31 March 1998 / Accepted: 3 August 1998     

First and second order transition in frustrated XY systems

The nature of the phase transition for the XY stacked triangular antiferromagnet (STA) is a controversial subject at present. The field theoretical renormalization group (RG) in three dimensions predicts a first order transition. This prediction disagrees with Monte-Carlo (MC) simulations which favor a new universality class or a tricritical transition. We simulate by the Monte-Carlo method two models derived from the STA by imposing the constraint of local rigidity which should have the same critical behavior as the original model. A strong first order transition is found. Following Zumbach we analyze the second order transition observed in MC studies as due to a fixed point in the complex plane. We review the experimental results in order to clarify the critical behavior observed. Received: 18 February 1998 / Revised: 24 April 1998 / Accepted: 30 April 1998     

Influence of Coulomb interactions on the phase diagram of quasi-one dimensional metals

The influence of only partially screened Coulomb interactions on the phase diagram and the order parameter of quasi-one dimensional metals is investigated. Using a standard microscopic model, the free energy functional is derived by means of the heat kernel method. It is assumed that the Peierls gap and the mismatch are small compared to the band width and the reciprocal lattice vectors, respectively. Furthermore we neglect interchain to intrachain hopping elements. The resulting mean field phase diagram and the properties of the order parameter are discussed. We show in particular that the Coulomb forces are responsible for:a) a first-order transition between the incommensu-rate and the commensurate phase;b) only small deviations of the order parameter from a single plane wave over the entire incommensurate phase; andc) the approximate temperature independence of the wavelength of the modulation throughout the incommensurate phase. The possible relevance of these results for quasi-one dimensional systems exhibiting nonlinear conduction is pointed out.     

Phase transition in the Blume-Capel model with second neighbour interaction

A two dimensional antiferromagnetic spin-1 Ising model with negative next- nearest neighbour interaction (J ₂ <0) and under an external magnetic field is investigated by two methods: The mean-field theory and Finite-Size-Scaling based on transfer matrix (TMFSS) calculations. The ground state diagrams exhibit several new phases including frustrated ones. At finite temperature we obtain by these two methods quite rich phase diagrams, with several multicritical points. While Mean field approximation yields phase diagrams which are sometimes even qualitatively incorrect, accurate results are obtained from transfer matrix finite size scaling calculations. For a certain range of interaction parameters, the model is shown to violate the ordinary universality hypothesis. Received: 3 November 1997 / Revised: 31 March 1998 / Accepted: 7 April 1998     

Stability of the Haldane state against the antiferromagnetic-bond randomness

Ground-state phase diagram of the one-dimensional bond-random S=1 Heisenberg antiferromagnet is investigated by means of the loop-cluster-update quantum Monte-Carlo method. The random couplings are drawn from a rectangular uniform distribution. We found that even in the case of extremely broad bond distribution, the magnetic correlation decays exponentially, and the correlation length is hardly changed; namely, the Haldane phase continues to be realized. This result is accordant with that of the exact-diagonalization study, whereas it might contradict the conclusion of an analytic theory founded in a power-law bond distribution instead. The latter theory predicts that a second-order phase transition occurs at a certain critical randomness, and the correlation length diverges for sufficiently strong randomness. Received: 31 March 1998 / Revised and Accepted: 7 July 1998     

Quantum rotors with regular frustration and the quantum Lifshitz point

We have discussed the zero-temperature quantum phase transition in n-component quantum rotor Hamiltonian in the presence of regular frustration in the interaction. The phase diagram consists of ferromagnetic, helical and quantum paramagnetic phase, where the ferro-para and the helical-para phase boundary meets at a multicritical point called a (d,m) quantum Lifshitz point where (d,m) indicates that the m of the d spatial dimensions incorporate frustration. We have studied the Hamiltonian in the vicinity of the quantum Lifshitz point in the spherical limit and also studied the renormalisation group flow behaviour using standard momentum space renormalisation technique (for finite n). In the spherical limit ()one finds that the helical phase does not exist in the presence of any nonvanishing quantum fluctuation for m =d though the quantum Lifshitz point exists for all d > 1+m/2, and the upper critical dimensionality is given by d _u = 3 +m/2. The scaling behaviour in the neighbourhood of a quantum Lifshitz point in d dimensions is consistent with the behaviour near the classical Lifshitz point in (d+z) dimensions. The dynamical exponent of the quantum Hamiltonian z is unity in the case of anisotropic Lifshitz point (d>m) whereas z=2 in the case of isotropic Lifshitz point (d=m). We have evaluated all the exponents using the renormalisation flow equations along-with the scaling relations near the quantum Lifshitz point. We have also obtained the exponents in the spherical limit (). It has also been shown that the exponents in the spherical model are all related to those of the corresponding Gaussian model by Fisher renormalisation. Received: 23 December 1997 / Received in final form: 6 January 1998 / Accepted: 7 January 1998     

Theoretical study of the magnetism in the incommensurate phase of TiOCl

Going beyond a recently proposed microscopic model [D. Mastrogiuseppe, A. Dobry, arXiv:0810.3018v1] for the incommensurate transition in the spin-Peierls TiOX (X=Cl, Br) compounds, in the present work we start by studying the thermodynamics of the model with XY spins and adiabatic phonons. We find that the system enters an incommensurate phase by a first order transition at a low temperature T_c1. At a higher temperature T_c2 a continuous transition to a uniform phase is found. Furthermore, we study the magnetism in the incommensurate phase by density matrix renormalization group (DMRG) calculations on a one-dimensional Heisenberg model where the exchange is modulated by the incommensurate atomic position pattern. When the wave vector q of the modulation is near π, we find local magnetized zones (LMZ) in which spins abandon their singlets as a result of the domain walls induced by the modulated distortion. When q moves far away enough from π, the LMZ disappear and the system develops incommensurate magnetic correlations induced by the structure. We discuss the relevance of this result regarding previous and future experiments in TiOCl.     

Electronic and magnetic structure of the undoped two and three-leg ladder cuprates in an itinerant electrons model

We study the electronic and magnetic structure of the undoped ideal two and three-leg ladder cuprates by assuming a moderate on site coulombic repulsion. This analysis is an extension of the Fermi liquids studies proposed for the CuO₂ plane in view to explain the high T_c superconductivity and the competition with the antiferromagnetic phase. At zero doping, the quasi-one-dimensionality of the structure results in SDW correlations with different (commensurate) vectors according to the number of legs, which contrasts with the predictions made from the Heisenberg model. At mean field, and for n = 3 (Sr₂Cu₃O₅), we predict a magnetic ordered state, detected by μSr and NMR measurements with critical temperatures consistent with our assumptions on the physical parameters, the modulation vector being .The presence of several bands at the Fermi level explains why there is no observable gap in the static susceptibility measurements. For n = 2, we predict a gap consistent with experimental Curie susceptibility. But the expected magnetic instability is detected only in La₂Cu₂O₅, where the interladder coupling is stronger. In every case the one-dimensional van Hove singularities are far from the Fermi level, making difficult the obtaining of high T_c superconductivity. Received 3 June 1998     

Interaction versus dimerization in one-dimensional Fermi systems

In order to study the effect of interaction and lattice distortion on quantum coherence in one-dimensional Fermi systems, we calculate the ground state energy and the phase sensitivity of a ring of interacting spinless fermions on a dimerized lattice. Our numerical DMRG studies, in which we keep up to 1000 states for systems of about 100 sites, are supplemented by analytical considerations using bosonization techniques. We find a delocalized phase for an attractive interaction, which differs from that obtained for random lattice distortions. The extension of this delocalized phase depends strongly on the dimerization induced modification of the interaction. Taking into account the harmonic lattice energy, we find a dimerized ground state for a repulsive interaction only. The dimerization is suppressed at half filling, when the correlation gap becomes large. Received: 11 February 1998 / Revised: 1st April 1998 / Accepted: 30 April 1998     

Comparing mean field and Euclidean matching problems

Combinatorial optimization is a fertile testing ground for statistical physics methods developed in the context of disordered systems, allowing one to confront theoretical mean field predictions with actual properties of finite dimensional systems. Our focus here is on minimum matching problems, because they are computationally tractable while both frustrated and disordered. We first study a mean field model taking the link lengths between points to be independent random variables. For this model we find perfect agreement with the results of a replica calculation, and give a conjecture. Then we study the case where the points to be matched are placed at random in a d-dimensional Euclidean space. Using the mean field model as an approximation to the Euclidean case, we show numerically that the mean field predictions are very accurate even at low dimension, and that the error due to the approximation is O(1/d ² ). Furthermore, it is possible to improve upon this approximation by including the effects of Euclidean correlations among k link lengths. Using k=3 (3-link correlations such as the triangle inequality), the resulting errors in the energy density are already less than at . However, we argue that the dimensional dependence of the Euclidean model's energy density is non-perturbative, i.e., it is beyond all orders in k of the expansion in k-link correlations. Received: 1st December 1997 / Revised: 6 May 1998 / Accepted: 30 June 1998     

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     

Incommensurate–commensurate transition and nanoscale domain-like structure in iron doped Ti–Ni shape memory alloys

Precursor phenomena of displacive transformation have been studied by optical and transmission electron microscope observation and X-ray diffraction of Ti–(50???x)Ni–xFe (x?=?2,?4,?6,?8 in at.%) alloys. We found that a Ti–44Ni–6Fe alloy exhibits a second-order-like incommensurate–commensurate transition without latent heat and discontinuity in lattice parameters. In other words, diffuse scatterings appear in an electron diffraction pattern at an incommensurate position on cooling; they move gradually towards 1/3? 110? as the temperature decreases and lock into the commensurate position at 180?K. The commensurate phase is not expanded along one of the ? 111? directions, unlike the R-phase formed by a first-order transformation in Ti–48Ni–2Fe and Ti–46Ni–4Fe alloys. In addition, the commensurate phase shows a nanoscale domain-like structure, which is inherited from the incommensurate state of the parent phase. Thus, the anomalies in physical properties observed in the incommensurate state are most likely the precursor phenomena of the commensurate phase in the Ti–44Ni–6Fe alloy. In the case of a Ti–42Ni–8Fe alloy, the incommensurate state remains even at 19?K.     

Boundary condition histograms for modulated phases

Boundary conditions strongly affect the results of numerical computations for finite size inhomogeneous or incommensurate structures. We present a method which allows to deal with this problem, both for ground state and for critical properties: it combines fluctuating boundary conditions and specific histogram techniques. Our approach concerns classical systems possessing a continuous symmetry as well as quantum systems. In particular, current-current correlation functions, which probe large scale coherence of the states, can be accurately evaluated. We illustrate our method on a frustrated two dimensional XY model. Received: 9 September 1997 / Revised: 17 October 1997 / Accepted: 3 November 1997     

High-temperature series analysis of the p-state Potts glass model on d-dimensional hypercubic lattices

We analyze recently extended high-temperature series expansions for the “Edwards-Anderson” spin-glass susceptibility of the p-state Potts glass model on d-dimensional hypercubic lattices for the case of a symmetric bimodal distribution of ferro- and antiferromagnetic nearest-neighbor couplings . In these star-graph expansions up to order 22 in the inverse temperature , the number of Potts states p and the dimension d are kept as free parameters which can take any value. By applying several series analysis techniques to the new series expansions, this enabled us to determine the critical coupling K_c and the critical exponent of the spin-glass susceptibility in a large region of the two-dimensional (p,d)-parameter space. We discuss the thus obtained information with emphasis on the lower and upper critical dimensions of the model and present a careful comparison with previous estimates for special values of p and d. Received: 25 May 1998 / Revised and Accepted: 11 August 1998     

Numerical diagonalization analysis of the ground-state superfluid-localization transition in two dimensions

Ground state of the two-dimensional hard-core-boson system in the presence of the quenched random chemical potential is investigated by means of the exact-diagonalization method for the system sizes up to L=5. The criticality and the DC conductivity at the superfluid-localization transition have been controversial so far. We estimate, with the finite-size scaling analysis, the correlation-length and the dynamical critical exponents as and z=2, respectively. The AC conductivity is computed with the Gagliano-Balseiro formula, with which the resolvent (dynamical response function) is expressed in terms of the continued-fraction form consisting of Lanczos tri-diagonal elements. Thereby, we estimate the universal DC conductivity as . Received 19 August 1998     

Quadrupolar order in the Heisenberg ferromagnet with the single-ion cubic anisotropy

The ground state properties of S =2 ferromagnets with isotropic Heisenberg exchange (J) and single-ion cubic anisotropy (D) are studied. The perturbation theory for is used to find an effective Hamiltonian up to the fourth order for 1, 2 and 3 dimensions. It is shown that in opposition to the MFA prediction there is the quadrupolar long range order at T = 0 in the non-magnetic state of the system without a quadrupolar type of interaction. The effect is a consequence of the quantum nature of the model. Received: 19 February 1998 / Accepted: 17 March 1998