arXiv subjects

Erik S. Sørensen

Publications and source records attributed to Erik S. Sørensen.

33 records · Page 2Linked to original sources

arXiv2014

A Quantum Fidelity Study of the Anisotropic Next-Nearest-Neighbour Triangular Lattice Heisenberg Model

Ground- and excited-state quantum fidelities in combination with generalized quantum fidelity susceptibilites, obtained from exact diagonalizations, are used to explore the phase diagram of the anisotropic next-nearest-neighbour triangular Heisenberg model. Specifically, the $J'-J_2$ plane of this model, which connects the $J_1-J_2$ chain and the anisotropic triangular lattice Heisenberg model, is explored using these quantities. Through the use of a quantum fidelity associated with the first excited-state, in addition to the conventional ground-state fidelity, the BKT-type transition and Majumdar-Ghosh point of the $J_1-J_2$ chain ($J'=0$) are found to extend into the $J'-J_2$ plane and connect with points on the $J_2=0$ axis thereby forming bounded regions in the phase diagram. These bounded regions are then explored through the generalized quantum fidelity susceptibilities $χ_ρ$, $χ_{120^{\circ}}$, $χ_D$ and $χ_{CAF}$ which are associated with the spin stiffness, $120^{\circ}$ spiral order parameter, dimer order parameter and collinear antiferromagnetic order parameter respectively. These quantities are believed to be extremely sensitive to the underlying phase and are thus well suited for finite-size studies. Analysis of the fidelity susceptibilities suggests that the $J',J_2 \ll J$ phase of the anisotropic triangular model is either a collinear antiferromagnet or possibly a gapless disordered phase that is directly connected to the Luttinger phase of the $J_1-J_2$ chain. Furthermore, the outer region is dominated by incommensurate spiral physics as well as dimer order.

cond-mat.str-el↗

arXiv2014

Valence-Bond Quantum Monte Carlo Algorithms Defined on Trees

We present a new class of algorithms for performing valence-bond quantum Monte Carlo of quantum spin models. Valence-bond quantum Monte Carlo is a T=0 Monte Carlo method based on sampling of a set of operator-strings that can be viewed as forming a tree-like structure. The algorithms presented here utilize the notion of a worm that moves up and down this tree and changes the associated operator-string. In quite general terms we derive a set of equations whose solutions correspond to a new class of algorithms. As specific examples of this class of algorithms we focus on two cases. The bouncing worm algorithm, for which updates are always accepted by allowing the worm to bounce up and down the tree and the driven worm algorithm, where a single parameter controls how far up the tree the worm reaches before turning around. The latter algorithm involves only a single bounce where the worm turns from going up the tree to going down. The presence of the control parameter necessitates the introduction of an acceptance probability for the update.

physics.comp-ph↗

arXiv2013

Incommensurability Effects in Odd Length J_1-J_2 Quantum Spin Chains: On-site magnetization and Entanglement

For the antiferromagnetic J_1-J_2 quantum spin chain with an even number of sites, the point J_2^d=1/2 J_1 is a disorder point. It marks the onset of incommensurate real space correlations for J_2>J_2^d. At a distinct larger value of J_2^L=0.52036(6)J_1, the Lifshitz point, the peak in the static structure factor begins to move away from k=π. Here, we focus on chains with an odd number of sites. In this case the disorder point is also at J_2^d=1/2 J_1, but the behavior close to the Lifshitz point, J_2^L approx. 0.538 J_1, is quite different: starting at J_2^L, the ground-state goes through a sequence of level crossings as its momentum changes away from k=π/2. An even length chain, on the other hand, is gapped for any J_2>0.24J_1 and has the ground-state momentum k=0. This gradual change in the ground-state wave function for chains with an odd number of sites is reflected in a dramatic manner directly in the ground-state on-site magnetization as well as in the bi-partite von Neumann entanglement entropy. Our results are based on DMRG calculations and variational calculations performed in a restricted Hilbert space defined in the valence bond picture. In the vicinity of the point J_2=1/2 J_1, we expect the variational results to be very precise.

cond-mat.str-el↗

arXiv2011

Order in a Spatially Anisotropic Triangular Antiferromagnet

The phase diagram of the spin-1/2 Heisenberg antiferromagnet on an anisotropic triangular lattice of weakly coupled chains, a model relevant to Cs2CuCl4, is investigated using a renormalization group analysis, which includes marginal couplings important for connecting to numerical studies of this model. In particular, the relative stability of incommensurate spiral spin-density order and collinear antiferromagnetic order is studied. While incommensurate spiral order is found to exist over most of the phase diagram in the presence of a Dzyaloshinskii-Moriya (DM) interaction, at small interchain and extremely weak DM couplings, collinear antiferromagnetic order can survive. Our results imply that Cs2CuCl4 is well within the part of the phase diagram where spiral order is stable. The implications of the renormalization group analysis for numerical studies, many of which have found spin-liquidlike behavior, are discussed.

cond-mat.str-el↗

arXiv2011

The superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model

We investigate the superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model through quantum Monte Carlo simulations. The Bose-Hubbard model is studied in the presence of site disorder and the quantum critical point between the Bose-glass and superfluid is determined in both the grand canonical ($μ/U=0.375$ close to $ρ=1$) and canonical ensemble ($ρ=1$ and 0.5). Particular attention is paid to disorder averaging and it is shown that an extremely large number of disorder realizations are needed in order to obtain reliable results. Typically we average over more than $100,000$ disorder realizations. In the grand canonical ensemble we find $Z t_c/U=0.112(1)$ with $μ/U=0.375$, significantly different from previous studies. When compared to the critical point in the absence of disorder ($Z t_c/U=0.2385$), this result confirms previous findings showing that disorder enlarges the superfluid region. At the critical point, in order to estimate universal features, we compute the dynamic conductivity scaling curves.

cond-mat.dis-nn↗

arXiv2009

Neel and Valence Bond Crystal Order on a Distorted Kagome Lattice: Implications For Zn-Paratacamite

Zn-Paratacamite is a rare spin 1/2 antiferromagnetic insulator with an ideal kagome lattice structure in part of its phase diagram. As a function of Zn doping, this material undergoes a structural distortion which relieves the frustration and introduces magnetic order in the ground state, though the precise nature of the order is not clear at this point. In this paper, we present strong evidence for Neel ordering in the strongly distorted phase of Zn-Paratacamite through the application of quantum Monte-Carlo techniques. These numerical results support a recent Schwinger-boson mean field theory of Zn-Paratacamite. For weak distortion, close to the ideal kagome limit, our results indicate a regime with no Neel order but with a broken glide-plane symmetry. For this model the glide-plane symmetry is broken by any valence bond crystal. Hence, our results lend support to recent proposals of a valence bond crystal ground state for the undistorted lattice. The phase transition between the two phases could be in the deconfined universality class if it is not a first order transition.

cond-mat.str-el↗

arXiv2008

Estimates of Effective Hubbard Model Parameters for C20 isomers

We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$, in the effective Hamiltonian is determined by a fit to density functional theory calculations, and the on-site Coulomb interaction, $U/t$, is determined by calculating the isomers' affinity energies, which are compared to experimental values. For the C$_{20}$ fullerene cage we estimate $t_{\rm cage}\simeq 0.68-1.36$ eV and $(U/t)_{\rm cage} \simeq 7.1-12.2$. The resulting effective Hamiltonian is then used to study the shift of spectral peaks in the density of states of neutral and one-electron-doped C$_{20}$ isomers. Energy gaps are also extracted for possible future comparison with experiments.

cond-mat.str-el↗

arXiv2007

Kondo Effect in Spin Chains

The free electron Kondo problem can be described by a one-dimensional (1D) model because only the s-wave part of the electronic wave-function is affected by the Kondo coupling. Since only the spin degrees of freedom are involved in the Kondo interaction, and due to spin-charge separation in 1D, the universal low energy long distance physics of the Kondo model also arises when a magnetic impurity is coupled to the end of a gap-less antiferromagnetic J_1-J_2 spin-1/2 chain, where J_1(J_2) is the (next-)nearest neighbor coupling. Experimental realizations of such spin chain models are possible and using various analytical and numerical techniques, we present a detailed and quantitative comparison between the usual free electron Kondo model and such spin chain versions of the Kondo problem. For the gap-less J_1-J_2 spin chain two cases are studied, with zero next nearest neighbor coupling, J_2=0, and with a critical second neighbor coupling, J_2=J_2c. We first focus on the spin chain impurity model at J_2c~0.2412 where a bulk marginal coupling present in the spin chain model for J_2<J_2c vanishes. At J_2c, the usual Kondo physics is recovered in the spin chain model in the low energy regime. We then analyze the nearest-neighbor model (J_2=0) where a new kind of Kondo effect occurs due to the presence of the bulk marginal coupling. This marginal coupling leads to a slower variation of the Kondo temperature T_K with the bare Kondo coupling. In the exact Bethe ansatz solution of this spin chain impurity model (J_2=0) Frahm and Zvyagin noted this relation as well as the connection to the Kondo problem. Here, we provide further evidence for the connection to Kondo physics and present low temperature QMC results for the impurity susceptibility that further support this connection.

cond-mat.str-el↗

arXiv2007

Extended Hubbard model on a C$_{20}$ molecule

The electronic correlations on a C$_{20}$ molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength $V$, are studied using quantum Monte Carlo and exact diagonalization methods. For electron doped C$_{20}$, it is known that pair-binding arising from a purely electronic mechanism is absent within the standard Hubbard model (V=0). Here we show that this is also the case for hole doping for $0<U/t\leq 3$ and that, for both electron and hole doping, the effect of a non-zero $V$ is to work against pair-binding. We also study the magnetic properties of the neutral molecule, and find transitions between spin singlet and triplet ground states for either fixed $U$ or $V$ values. In addition, spin, charge and pairing correlation functions on C$_{20}$ are computed. The spin-spin and charge-charge correlations are very short-range, although a weak enhancement in the pairing correlation is observed for a distance equal to the molecular diameter.

cond-mat.str-el↗

arXiv2007

Quantum Impurity Entanglement

Entanglement in J_1-J_2, S=1/2 quantum spin chains with an impurity is studied using analytic methods as well as large scale numerical density matrix renormalization group methods. The entanglement is investigated in terms of the von Neumann entropy, S=-Tr rho_A log rho_A, for a sub-system A of size r of the chain. The impurity contribution to the uniform part of the entanglement entropy, S_{imp}, is defined and analyzed in detail in both the gapless, J_2 <= J_2^c, as well as the dimerized phase, J_2>J_2^c, of the model. This quantum impurity model is in the universality class of the single channel Kondo model and it is shown that in a quite universal way the presence of the impurity in the gapless phase, J_2 <= J_2^c, gives rise to a large length scale, xi_K, associated with the screening of the impurity, the size of the Kondo screening cloud. The universality of Kondo physics then implies scaling of the form S_{imp}(r/xi_K,r/R) for a system of size R. Numerical results are presented clearly demonstrating this scaling. At the critical point, J_2^c, an analytic Fermi liquid picture is developed and analytic results are obtained both at T=0 and T>0. In the dimerized phase an appealing picure of the entanglement is developed in terms of a thin soliton (TS) ansatz and the notions of impurity valence bonds (IVB) and single particle entanglement (SPE) are introduced. The TS-ansatz permits a variational calculation of the complete entanglement in the dimerized phase that appears to be exact in the thermodynamic limit at the Majumdar-Ghosh point, J_2=J_1/2, and surprisingly precise even close to the critical point J_2^c. In appendices the relation between the finite temperature entanglement entropy, S(T), and the thermal entropy, S_{th}(T), is discussed and and calculated at the MG-point using the TS-ansatz.

cond-mat.str-el↗

arXiv2007

Strong Correlation Effects in the Fullerene C20

The smallest fullerene, dodecahedral C20, is studied using a one band Hubbard model parameterized by U/t. Results are obtained using exact diagonalization of matrices with linear dimensions as large as 5.7 x 10^9, supplemented by quantum Monte Carlo. We report the magnetic and spectral properties of C20 as a function of U/t and investigate electronic pair binding. Solid forms of C20 are studied using cluster perturbation theory and evidence is found for a metal-insulator transition at U ~ 4t. We also investigate the relevance of strong correlations to the Jahn-Teller effect in C20.

cond-mat.str-el↗

arXiv2006

Fermi Liquid Theory for the Persistent Current Past a Side-Coupled Quantum Dot

A Fermi Liquid theory is developed for the persistent current past a side coupled quantum dot yielding analytical predictions for the behavior of the first two harmonics of the persistent current as a function of applied magnetic flux. The quantum dot is assumed weakly coupled to a ring of non-interacting electrons and thus appropriately described as a Kondo impurity. The theory is valid at weak Kondo couplings in the regime where the system size, L, is much larger than the size of the Kondo screening cloud, xi_K. The predictions of the Fermi Liquid theory are compared to exact diagonalization results for the persistent current that lend support to the existence of a regime correctly described by this theory. The finite temperature conductance, at T << T_K is also calculated using Fermi liquid theory allowing the definition of a ``Wilson ratio" relating the conductance and the persistent current.

cond-mat.str-el↗

arXiv2006

Impurity Entanglement Entropy and the Kondo Screening Cloud

The screening of an impurity spin by conduction electrons is associated with the formation of a large Kondo screening cloud, of size xi_K. We study the quantum entanglement between a region of size r surrounding the impurity and the rest of the sample, (of total size R) using Density Matrix Renormalization Group and analytic methods. The corresponding "impurity entanglement entropy", S_{imp}, is shown to be a universal scaling function of r/xi_K and r/R. We calculate this universal function using Fermi liquid theory in the regime xi_K << r.

cond-mat.str-el↗

arXiv2004

The Kondo Screening Cloud around a Quantum Dot: Large-scale numerical Results

Measurements of the persistent current in a ring containing a quantum dot would afford a unique opportunity to finally detect the elusive Kondo screening cloud. We present the first large-scale numerical results on this controversial subject using exact diagonalization and density matrix renormalization group (RG). These extremely challenging numerical calculations confirm RG arguments for weak to strong coupling crossover with varying ring length and give results on the universal scaling functions. We also study, analytically and numerically, the important and surprising effects of particle-hole symmetry breaking.

cond-mat.str-el↗

arXiv2004

Dual Geometric Worm Algorithm for Two-Dimensional Discrete Classical Lattice Models

We present a dual geometrical worm algorithm for two-dimensional Ising models. The existence of such dual algorithms was first pointed out by Prokof'ev and Svistunov \cite{ProkofevClassical}. The algorithm is defined on the dual lattice and is formulated in terms of bond-variables and can therefore be generalized to other two-dimensional models that can be formulated in terms of bond-variables. We also discuss two related algorithms formulated on the direct lattice, applicable in any dimension. These latter algorithms turn out to be less efficient but of considerable intrinsic interest. We show how such algorithms quite generally can be "directed" by minimizing the probability for the worms to erase themselves. Explicit proofs of detailed balance are given for all the algorithms. In terms of computational efficiency the dual geometrical worm algorithm is comparable to well known cluster algorithms such as the Swendsen-Wang and Wolff algorithms, however, it is quite different in structure and allows for a very simple and efficient implementation. The dual algorithm also allows for a very elegant way of calculating the domain wall free energy.

cond-mat.stat-mech↗