arXiv subjects

S. Sorella

Publications and source records attributed to S. Sorella.

36 records · Page 2Linked to original sources

arXiv1999

Spin liquid ground state in a two dimensional non-frustrated spin model

We consider an exchange model describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on the square lattice. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit, and is known to show a spin-Peierls-like dimerization in one dimension. In two dimensions we calculate energy gaps, susceptibilities, and correlation functions with a Green's Function Monte Carlo. We find a finite spin gap and no evidence of any kind of order. We conclude that the ground state is, most likely, a spin liquid of resonating valence bonds.

cond-mat.str-el↗

arXiv1999

Long range Neel order in the triangular Heisenberg model

We have studied the Heisenberg model on the triangular lattice using several Quantum Monte Carlo (QMC) techniques (up to 144 sites), and exact diagonalization (ED) (up to 36 sites). By studying the spin gap as a function of the system size we have obtained a robust evidence for a gapless spectrum, confirming the existence of long range Neel order. Our best estimate is that in the thermodynamic limit the order parameter m= 0.41 +/- 0.02 is reduced by about 59% from its classical value and the ground state energy per site is e0=-0.5458 +/- 0.0001 in unit of the exchange coupling. We have identified the important ground state correlations at short distance.

cond-mat↗

arXiv1998

Electron Localization in the Insulating State

The insulating state of matter is characterized by the excitation spectrum, but also by qualitative features of the electronic ground state. The insulating ground wavefunction in fact: (i) sustains macroscopic polarization, and (ii) is localized. We give a sharp definition of the latter concept, and we show how the two basic features stem from essentially the same formalism. Our approach to localization is exemplified by means of a two--band Hubbard model in one dimension. In the noninteracting limit the wavefunction localization is measured by the spread of the Wannier orbitals.

cond-mat.mtrl-sci↗

arXiv1998

Charge fluctuations close to phase separation in the two dimensional t-J model

We have studied the t-J model using the Green Function Monte Carlo technique. We have obtained accurate energies well converged in the thermodynamic limit, by performing simulations up to 242 lattice sites. By studying the energy as a function of hole doping we conclude that there is no phase separation in the physical region, relevant for HTc superconductors. This finding is further supported by the hole-hole correlation function calculation. Remarkably, by approaching the phase separation instability, for $J_c/t\sim 0.5$,this function displays enhanced fluctuations at incommensurate wavevectors, scaling linearly with the doping, in agreement with experimental findings.

cond-mat.str-el↗

arXiv1998

Spin gap in low-dimensional Mott insulators with orbital degeneracy

We consider the exchange Hamiltonian H_ST = -J Sum_{ } (2 S_r S_r' - 1/2) (2 T_r T_r' - 1/2) describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on equivalent bonds. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit. To investigate the ground state properties we use a Green's Function Monte Carlo, calculating energy gaps and correlation functions, the latter through the forward walking technique. In one dimension we find that the ground state is a ``crystal'' of valence bond dimers. In two dimensions, the spin gap appears to remain finite in the thermodynamic limit, and, consistently, the staggered magnetization -- signal of Neel long range order -- seems to vanish. From the analysis of dimer-dimer correlation functions, however, we find no sign of a valence bond crystal. A spin liquid appears as a plausible scenario compatible with our findings.

cond-mat.str-el↗

arXiv1998

Green Function Monte Carlo with Stochastic Reconfiguration

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which introduces some bias but allows a stable simulation with constant sign. The systematic reduction of this bias is in principle possible. The method is applied to the frustrated J1-J2 Heisenberg model, and tested against exact diagonalization data. Evidence of a finite spin gap for J2/J1 >~ 0.4 is found in the thermodynamic limit.

cond-mat↗

arXiv1998

Numerical study of the two dimensional Heisenberg model by Green Function Monte Carlo at fixed number of walkers

We describe in detail a simple and efficient Green Function Monte Carlo technique for computing both the ground state energy and the ground state properties by the ``forward walking'' scheme. The simplicity of our reconfiguration process, used to maintain the walker population constant, allows to control any source of systematic error in a rigorous and systematic way. We apply this method to the Heisenberg model and obtain accurate and reliable estimates of the ground state energy, the order parameter and the static spin structure factor S(q) for several momenta. For the latter quantity we also find very good agreement with available experimental data on the La2CuO4 antiferromagnet.

cond-mat↗

arXiv1998

Metallic charge density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling

Motivated by the recent experimental evidence of commensurate surface CDW in Pb/Ge(111) and Sn/Ge(111) $\sqrt{3}$-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have investigated the role of electron-electron interactions, and also of electron-phonon coupling, on the narrow surface state band originating from the dangling bond orbitals of the adsorbate. We model the problem by an extended two-dimensional Hubbard model at half-filling on a triangular lattice. We include an on-site Hubbard repulsion U and a nearest-neighbor V, plus a long-ranged Coulomb tail. The electron-phonon interaction is treated in the deformation potential approximation. We have explored the phase diagram of the model including the possibility of commensurate 3x3 phases, using mainly the Hartree-Fock approximation. For U larger than the bandwidth we find magnetic insulators, possibly corresponding to the situation in SiC and in K/Si. For smaller U, the inter-site repulsion V can stabilize metallic CDW phases, reminiscent of the 3x3 structures of Sn/Ge, and possibly of Pb/Ge.

cond-mat.str-el↗

arXiv1997

Anomalous finite size spectrum in the S=1/2 two dimensional Heisenberg model

We study the low energy spectrum of the nearest neighbor Heisenberg model on a square lattice as a function of the total spin S. By quantum Monte Carlo simulation we compute this spectrum for the s=1/2, s=1 and s=3/2 Heisenberg models. We conclude that the nonlinear sigma model prediction for the low energy spectrum is always verified for large enough system size. However the crossover to the correct scaling regime is particularly slow just for the s=1/2 Heisenberg model. The possibility to detect this unexpected anomaly with finite temperature experiments on s=1/2 isotropic quantum antiferromagnets is also discussed.

cond-mat↗

arXiv1997

Theory of hole propagation in one dimensional insulators and superconductors

The dynamical properties of hole motion in an antiferromagnetic background are determined in one dimensional models in zero magnetic field, where spin isotropy holds, as well as in an external magnetic field. The latter case is also relevant, via particle-hole transformation, to the problem of hole propagation in one dimensional "superconductors". The singularities in the spectral function are investigated by means of bosonization techniques and perturbation theories. Results are then compared with Bethe ansatz solutions and Lanczos diagonalizations. The formalism also leads to interesting connections to the single impurity problem in Luttinger liquids. A rich structure is found in the spectral function whenever spin isotropy is broken, suggesting the presence of exotic momentum dependence in photoemission spectra of (quasi) one dimensional materials.

cond-mat↗

arXiv1996

Ferromagnetism in the two dimensional t-t' Hubbard model at the Van Hove density

Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping t and next-nearest-neighbor hopping t', by simulation of lattices with up to 20 X 20 sites. For a given R=2t'/t, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for R=0.94 (R=0.2). This is consistent with the prediction of the T-matrix approximation, which sums the most singular set of diagrams.

cond-mat↗

arXiv1996

Spectral properties of one dimensional insulators and superconductors

Conformal field theory and Bethe ansatz are used to investigate the low energy features of the spectral function in one dimensional models which exhibit a gap in the spin or in the charge excitation spectrum. Exotic behavior is found in the superconducting case, where the Green function displays momentum dependent Luttinger Liquid exponents. The predictions of the formalism are confirmed by Lanczos diagonalizations in the $tJ$ model up to 32 sites. These results may be relevant in connection to photoemission experiments in quasi one dimensional insulators or superconductors.

cond-mat↗

arXiv1995

Low energy and dynamical properties of a single hole in the t-Jz model

We review in details a recently proposed technique to extract information about dynamical correlation functions of many-body hamiltonians with a few Lanczos iterations and without the limitation of finite size. We apply this technique to understand the low energy properties and the dynamical spectral weight of a simple model describing the motion of a single hole in a quantum antiferromagnet: the $t-J_z$ model in two spatial dimension and for a double chain lattice. The simplicity of the model allows us a well controlled numerical solution, especially for the two chain case. Contrary to previous approximations we have found that the single hole ground state in the infinite system is continuously connected with the Nagaoka fully polarized state for $J_z \to 0$. Analogously we have obtained an accurate determination of the dynamical spectral weight relevant for photoemission experiments. For $J_z=0$ an argument is given that the spectral weight vanishes at the Nagaoka energy faster than any power law, as supported also by a clear numerical evidence. It is also shown that spin charge decoupling is an exact property for a single hole in the Bethe lattice but does not apply to the more realistic lattices where the hole can describe closed loop paths.

cond-mat↗

arXiv1995

Large physical spin approach for strongly correlated electrons

We present a novel approach for a systematic large--spin expansion of the $t$-$J$ Hamiltonian which enables us to work without the constraint of no double occupancy. In our scheme we can perform the large--spin limit ensuring that the low energy spin excitations are in {\em exact} correspondence with the physical excitations of the $s={1\over2}$ Hilbert space. As a consequence, we expect a smooth dependence of the physical quantities on the expansion parameter $1/ s$. As a first application of the method we study the case of a single hole in a Néel background. A systematic expansion in fluctuations about this stable solution indicates that by increasing $t/J$ the quasiparticle weight strongly depends on the momentum carried by the hole. Results, obtained on small lattice sizes, are found in excellent agreement with exact diagonalization data.

cond-mat↗

arXiv1994

Many-body and Covalence Effects in the Polarization of Ferroelectric Perovskites

The ferroelectric polarization of perovskite oxides is much larger than implied by displacement of static ionic charges. We use an explicitly correlated scheme to investigate the phenomenon; charge transport is evaluated as a geometric quantum phase. Both covalence and electron-electron interaction enhance polarization in the weakly correlated regime. At higher values of the electron-electron interaction, the system undergoes a transition from a band insulator to a Mott insulator: the static ionic charge is continuous across the transition, whereas the polarization is discontinuous. Above the transition, oxygen transports a positive charge.

cond-mat↗

arXiv1994

On the classification of the low energy excitations in the doped antiferromagnet

A long-wavelength, low energy hamiltonian is derived to describe the dynamic of a single hole in a quantum antiferromagnet in two or higher spatial dimensions. In this {\em exactly solvable} limit a {\em new} kind of symmetry is important to classify the elementary spin excitations of a single hole in the $t-J$ model. This symmetry is hidden at finite size or at short wavelength. The resulting classification has important consequences for understanding the physics of doped antiferromagnets. Fermi liquid like $s=1/2$ and charge one excitations are still well defined in a quantum antiferromagnet, but are not a {\em complete} set to describe the low energy physics.

cond-mat↗

arXiv1993

Hole dynamics in a quantum antiferromagnet beyond the retraceable path approximation

The one-hole spectral weight for two chains and two dimensional lattices is studied numerically using a new method of analysis of the spectral function within the Lanczos iteration scheme: the Lanczos spectra decoding method. This technique is applied to the $t-J_z$ model for $J_z \to 0$, directly in the infinite size lattice. By a careful investigation of the first 13 Lanczos steps and the first 26 ones for the two dimensional and the two chain cases respectively, we get several new features of the one-hole spectral weight. A sharp incoherent peak with a clear momentum dispersion is identified, together with a second broad peak at higher energy. The spectral weight is finite up to the Nagaoka energy where it vanishes in a non-analytic way. Thus the lowest energy of one hole in a quantum antiferromagnet is degenerate with the Nagaoka energy in the thermodynamic limit.

cond-mat↗

arXiv1993

Realization of a Spin liquid in a Two Dimensional Quantum Antiferromagnet

The ground state properties of the two dimensional spatially anisotropic Heisenberg model are investigated by use of field theory mappings, spin-wave expansion and Lanczos technique. Evidence for a disorder transition induced by anisotropy at about $J_y/J_x < 0.1$ is shown. We argue that the disordered phase is gapless and its long wavelength properties can be interpreted in terms of decoupled one dimensional chains.

cond-mat↗