arXiv subjects

F. Becca

Publications and source records attributed to F. Becca.

17 recordsLinked to original sources

arXiv2008

Magnetic field-induced transition in a quantum magnet described by the Quantum Dimer Model

The effect of a magnetic field on a gapped quantum magnet is described within the framework of the Quantum Dimer Model. A minimal model describing the proliferation of itinerant spinons above a critical field is proposed and investigated by Lanczos exact diagonalizations and quantum Monte Carlo simulations. For both square and triangular lattices, it is shown that spinons are fully polarized and Bose-condense. This offers a novel scenario of a Quantum Critical Point in the dimer-liquid phase (triangular lattice) characterized by the continuous appearance of a spinon superfluid density, contrasting with the usual triplet condensation picture. The possible role of other spinon kinetic terms neglected in the model are discussed.

cond-mat.str-el↗

arXiv2008

Time-dependent Gutzwiller theory of pairing fluctuations in the Hubbard model

We present a method to compute pairing fluctuations on top of the Gutzwiller approximation (GA). Our investigations are based on a charge-rotational invariant GA energy functional which is expanded up to second order in the pair fluctuations. Equations of motion for the fluctuations lead to a renormalized ladder type approximation. Both spectral functions and corrections to static quantities, like the ground-state energy, are computed. The quality of the method is examined for the single-band Hubbard model where we compare the dynamical pairing correlations for s- and d-wave symmetries with exact diagonalizations and find a significant improvement with respect to analogous calculations done within the standard Hartree-Fock ladder approximation. The technique has potential applications in the theory of Auger spectroscopy, superconductivity, and cold atom physics.

cond-mat.str-el↗

arXiv2007

Theory of antibound states in partially filled narrow band systems

We present a theory of the dynamical two-particle response function in the Hubbard model based on the time-dependent Gutzwiller approximation. The results are in excellent agreement with exact diagonalization on small clusters and give reliable results even for high densities, where the usual ladder approximation breaks down. We apply the theory to the computation of antibound states relevant for Auger spectroscopy and cold atom physics. A special bonus of the theory is its computational simplicity.

cond-mat.str-el↗

arXiv2006

The emergence of Resonating Valence Bond physics in spin-orbital models

We discuss how orbital degeneracy, which is usually removed by a cooperative Jahn-Teller distortion, could under appropriate circumstances lead rather to a Resonating Valence Bond spin-orbital liquid. The key points are: i) The tendency to form spin-orbital dimers, a tendency already identified in several cases; ii) The mapping onto Quantum Dimer Models, which have been shown to possess Resonating Valence Bond phases on the triangular lattice. How this program can be implemented is explained in some details starting from a microscopic model of LiNiO$_2$.

cond-mat.str-el↗

arXiv2005

The Quantum Compass Model on the Square Lattice

Using exact diagonalizations, Green's function Monte Carlo simulations and high-order perturbation theory, we study the low-energy properties of the two-dimensional spin-1/2 compass model on the square lattice defined by the Hamiltonian $H = - \sum_{\bm{r}} (J_x σ_{\bm{r}}^x σ_{\bm{r} + \bm{e}_x}^x + J_z σ_{\bm{r}}^z σ_{\bm{r} + \bm{e}_z}^z)$. When $J_x\ne J_z$, we show that, on clusters of dimension $L\times L$, the low-energy spectrum consists of $2^L$ states which collapse onto each other exponentially fast with $L$, a conclusion that remains true arbitrarily close to $J_x=J_z$. At that point, we show that an even larger number of states collapse exponentially fast with $L$ onto the ground state, and we present numerical evidence that this number is precisely $2\times 2^L$. We also extend the symmetry analysis of the model to arbitrary spins and show that the two-fold degeneracy of all eigenstates remains true for arbitrary half-integer spins but does not apply to integer spins, in which cases eigenstates are generically non degenerate, a result confirmed by exact diagonalizations in the spin-1 case. Implications for Mott insulators and Josephson junction arrays are briefly discussed.

cond-mat.str-el↗

arXiv2003

Time-dependent Gutzwiller theory of magnetic excitations in the Hubbard model

We use a spin-rotational invariant Gutzwiller energy functional to compute random-phase-approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). The method can be viewed as an extension of the previously developed GA+RPA approach for the charge sector [G. Seibold and J. Lorenzana, Phys. Rev. Lett. {\bf 86}, 2605 (2001)] with respect to the inclusion of the magnetic excitations. Unlike the charge case, no assumptions about the time evolution of the double occupancy are needed in this case. Interestingly, in a spin-rotational invariant system, we find the correct degeneracy between triplet excitations, showing the consistency of both computations. Since no restrictions are imposed on the symmetry of the underlying saddle-point solution, our approach is suitable for the evaluation of the magnetic susceptibility and dynamical structure factor in strongly correlated inhomogeneous systems. We present a detailed study of the quality of our approach by comparing with exact diagonalization results and show its much higher accuracy compared to the conventional Hartree-Fock+RPA theory. In infinite dimensions, where the GA becomes exact for the Gutzwiller variational energy, we evaluate ferromagnetic and antiferromagnetic instabilities from the transverse magnetic susceptibility. The resulting phase diagram is in complete agreement with previous variational computations.

cond-mat.str-el↗

arXiv2003

Ising transition driven by frustration in a 2D classical model with SU(2) symmetry

We study the thermal properties of the classical antiferromagnetic Heisenberg model with both nearest ($J_1$) and next-nearest ($J_2$) exchange couplings on the square lattice by extensive Monte Carlo simulations. We show that, for $J_2/J_1 > 1/2 $, thermal fluctuations give rise to an effective $Z_2$ symmetry leading to a {\it finite-temperature} phase transition. We provide strong numerical evidence that this transition is in the 2D Ising universality class, and that $T_c\to 0$ with an infinite slope when $J_2/J_1\to 1/2$.

cond-mat.str-el↗

arXiv2003

A chiral spin liquid wave function and the Lieb-Schulz-Mattis theorem

We study a chiral spin liquid wave function defined as a Gutwziller projected BCS state with a complex pairing function. After projection, spontaneous dimerization is found for any odd but finite number of chains, thus satisfying the Lieb-Schultz-Mattis theorem, whereas for even number of chains there is no dimerization. The two-dimensional thermodynamic limit is consistently reached for large number of chains since the dimer order parameter vanishes in this limit. This property clearly supports the possibility of a spin liquid ground state in two dimensions with a gap to all {\em physical} excitations and with no broken translation symmetry.

cond-mat.str-el↗

arXiv2002

Magnetic Superstructure in the Two-Dimensional Quantum Antiferromagnet SrCu2(BO3)2

We report the observation of magnetic superstructure in a magnetization plateau state of SrCu2(BO3)2, a frustrated quasi-two-dimensional quantum spin system. The Cu and B nuclear magnetic resonance (NMR) spectra at 35 mllikelvin indicate an apparently discontinuous phase transition from uniform magnetization to a modulated superstructure near 27 tesla, above which a magnetization plateau at 1/8 of the full saturation has been observed. Comparison of the Cu NMR spectrum and the theoretical analysis of a Heisenberg spin model demonstrates the crystallization of itinerant triplets in the plateau phase within a large rhomboid unit cell (16 spins per layer) showing oscillations of the spin polarization. Thus we are now in possession of an interesting model system to study a localization transition of strongly interacting quantum particles.

cond-mat.str-el↗

arXiv2002

Inhomogeneous Gutzwiller approximation with random phase fluctuations for the Hubbard model

We present a detailed study of the time-dependent Gutzwiller approximation for the Hubbard model. The formalism, labelled GA+RPA, allows us to compute random-phase approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). No restrictions are imposed on the charge and spin configurations which makes the method suitable for the calculation of linear excitations around symmetry-broken solutions. Well-behaved sum rules are obeyed as in the Hartree-Fock (HF) plus RPA approach. Analytical results for a two-site model and numerical results for charge-charge and current-current dynamical correlation functions in one and two dimensions are compared with exact and HF+RPA results, supporting the much better performance of GA+RPA with respect to conventional HF+RPA theory.

cond-mat.str-el↗

arXiv2001

Superconductivity in the two-dimensional t-J model

Using computational techniques, it is shown that pairing is a robust property of hole doped antiferromagnetic (AF) insulators. In one dimension (1D) and for two-leg ladder systems, a BCS-like variational wave function with long-bond spin-singlets and a Jastrow factor provides an accurate representation of the ground state of the t-J model, even though strong quantum fluctuations destroy the off-diagonal superconducting (SC) long-range order in this case. However, in two dimensions (2D) it is argued -- and numerically confirmed using several techniques, especially quantum Monte Carlo (QMC) -- that quantum fluctuations are not strong enough to suppress superconductivity.

cond-mat.str-el↗

arXiv2000

Spatially homogeneous ground state of the two-dimensional Hubbard model

We investigate the stability with respect to phase separation or charge density-wave formation of the two-dimensional Hubbard model for various values of the local Coulomb repulsion and electron densities using Green-function Monte Carlo techniques. The well known sign problem is particularly serious in the relevant region of small hole doping. We show that the difference in accuracy for different doping makes it very difficult to probe the phase separation instability using only energy calculations, even in the weak-coupling limit ($U=4t$) where reliable results are available. By contrast, the knowledge of the charge correlation functions allows us to provide clear evidence of a spatially homogeneous ground state up to $U=10t$.

cond-mat.str-el↗

arXiv1999

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.

cond-mat.supr-con↗

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

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

The incommensurate charge-density-wave instability in the extended three-band Hubbard model

The infinite-U three-band Hubbard model is considered in order to describe the CuO_2 planes of the high temperature superconducting cuprates. The charge instabilities are investigated when the model is extended with a nearest-neighbor repulsion between holes on copper d and oxygen p orbitals and in the presence of a long-range Coulombic repulsion. It is found that a first-order valence instability line ending with a critical point is present like in the previously investigated model without long-range forces. However, the dominant critical instability is the formation of incommensurate charge-density-waves, which always occur before the valence-instability critical point is reached. An effective singular attraction arises in the proximity of the charge-density wave instability, accounting for both a strong pairing mechanism and for the anomalous normal state properties.

cond-mat.supr-con↗

arXiv1996

Charge-density-waves and superconductivity as an alternative to phase separation in the infinite-U Hubbard-Holstein model

We investigate the density instabilities present in the infinite-U Hubbard-Holstein model both at zero and finite momenta as well as the occurrence of Cooper instabilities with a specific emphasis on the role of long-range Coulomb forces. In carrying out this analysis a special attention is devoted to the effects of the strong local $e$-$e$ interaction on the $e$-$ph$ coupling and particularly to both the static and dynamic screening processes dressing this coupling. We also clarify under which conditions in strongly correlated electron systems a weak additional interaction, e.g. a phonon-mediated attraction, can give rise to a charge instability. In the presence of long-range Coulomb forces, the frustrated phase separation leads to the formation of incommensurate charge density waves. These instabilities, in turn, lead to strong residual scattering processes between quasiparticles and to superconductivity, thus providing an interesting clue to the interpretation of the physics of the copper oxides.

cond-mat↗