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arXiv:cond-mat/9604129 · Physical Review Letters

Spin Gaps in a Frustrated Heisenberg Model for CaV4O9

Steven R. White

Published Oct 21, 1996• 186 citations
arXivHTMLPDF

Abstract

I report results of a density matrix renormalization group (DMRG) study of a model for the two-dimensional spin-gapped system ${\mathrm{CaV}}_{4}{\mathrm{O}}_{9}$. This study represents the first time that DMRG has been used to study a two-dimensional system on large lattices, in this case as large as $24\ifmmode\times\else\texttimes\fi{}11$, allowing extrapolation to the thermodynamic limit. I present a substantial improvement to the DMRG algorithms which makes these calculations feasible.

DOI
10.1103/physrevlett.77.3633

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I report results of a density matrix renormalization group (DMRG) study of a model for the two-dimensional spin-gapped system CaV4O9{\mathrm{CaV}}_{4}{\mathrm{O}}_{9}CaV4​O9​. This study represents the first time that DMRG has been used to study a two-dimensional system on large lattices, in this case as large as 24\ifmmode×\else\texttimes\fi1124\ifmmode\times\else\texttimes\fi{}1124\ifmmode×\else\texttimes\fi11, allowing extrapolation to the thermodynamic limit. I present a substantial improvement to the DMRG algorithms which makes these calculations feasible.
A density matrix renormalization group (DMRG) approach is presented for quantum systems of two spatial dimensions. In particular, it is shown that it is possible to create a multichain-type two-dimensional (2D) DMRG approach that utilizes previously determined system and environment blocks at all points. One first builds up an effective quasi-1D system and environment blocks of width L and these quasi-1D blocks are then used to as the initial building blocks of the 2D infinite-lattice algorithm introduced here. This algorithm is found to be competitive with those results of previous 2D DMRG algorithms and also of the best of other approximate methods. An illustration of this is given for the spin-half and spin-one Heisenberg models on the square lattice. The best results for the ground-state energies per bond of the spin-half and spin-one square-lattice Heisenberg antiferromagnets for the $N=20\ifmmode\times\else\texttimes\fi{}20$ lattice using this treatment are given by ${E}_{g}{/N}_{B}=\ensuremath{-}0.3321$ and ${E}_{g}{/N}_{B}=\ensuremath{-}1.1525,$ respectively.
We propose an approach to implement the density-matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a $L\ifmmode\times\else\texttimes\fi{}L$ lattice are built up directly from the matrix elements of a $(L\ensuremath{-}1)\ifmmode\times\else\texttimes\fi{}(L\ensuremath{-}1)$ lattice and the topological characteristics of two-dimensional lattices are preserved in the iteration of DMRG. By applying it to the spin-1/2 Heisenberg model on both square and triangular lattices, we find that this approach is significantly more efficient and accurate than other two-dimensional DMRG methods currently in use.
The density matrix renormalization group (DMRG) is a numerical method for studying low dimensional strongly correlated models. The study of these models is one of the most active areas of condensed matter physics today and has been spurred not only by the discovery of high temperature superconductivity but also by experiments on new compounds. In this thesis we study fundamentals of the density matrix renormalization group method as well as applications of the method to Heisenberg spin chains. The introductory text is meant as a brief overview of the DMRG as well as Heisenberg spin systems and provides an introduction to the papers. In papers I and II we investigate the density matrix renormalization group with the aim to better understand the underlying structure of the method. We find that if the renormalization converges to a fixed point in the thermodynamic limit, the resulting basis states can be written as a matrix product form. We also show an explicit relation of the DMRG to variational calculations using the fact that the matrix product states can be rederived through a variational ansatz without any reference to the DMRG calculation. It is then shown how the matrix product states can be used to define a set of Bloch waves for describing elementary excitations of the Heisenberg spin-1 chain. The low lying energy spectrum is calculated. In papers III and IV we investigate the thermodynamics of impurities in a spin-1/2 chain. For this purpose we have shown that a recently developed transfer matrix DMRG method can be used to calculate impurity properties. Both impurity corrections to thermodynamic properties and local properties at finite temperature can be obtained. The method gives quicker and more accurate results than quantum Monte Carlo. The numerical results show good agreement with field theory calculations for a number of impurity configurations and the cross-over function for the magnetic susceptibility from high- to low-temperature behavior shows the expected data collapse. Our results also give quantitative predictions for experiments on doped spin-1/2 chains.
A variant of White's density-matrix renormalization-group scheme, which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested on two exactly solvable models---the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg chain and a dimerized XY\mathrm{XY}XY spin chain. To illustrate the potential of the method, it is applied to a model of spins interacting with quantum phonons. It is shown that the method accurately resolves a number of energy gaps on periodic rings that are sufficiently large to afford an accurate investigation of critical properties via the use of finite-size scaling theory.
We use the density matrix renormalization group (DMRG) algorithm to study the phase diagram of the spin-12\frac{1}{2}21​ Heisenberg model on a honeycomb lattice with first (J1{J}_{1}J1​) and second (J2{J}_{2}J2​) neighbor antiferromagnetic interactions, where a Z2{Z}_{2}Z2​ spin liquid region has been proposed. By implementing SU(2) symmetry in the DMRG code, we are able to obtain accurate results for long cylinders with a width slightly over 15 lattice spacings and a torus up to the size $N=2\ifmmode\times\else\texttimes\fi{}6\ifmmode\times\else\texttimes\fi{}6$. With increasing J2{J}_{2}J2​, we find a N\'eel phase with a vanishing spin gap and a plaquette valence-bond (PVB) phase with a nonzero spin gap. By extrapolating the square of the staggered magnetic moment ms2{m}_{s}^{2}ms2​ on finite-size cylinders to the thermodynamic limit, we find the N\'eel order vanishing at ${J}_{2}/{J}_{1}\ensuremath{\simeq}0.22$. For $0.25<{J}_{2}/{J}_{1}\ensuremath{\le}0.35$, we find a possible PVB order, which shows a fast growing PVB decay length with increasing system width. For 0.22<J2/J1<0.250.22<{J}_{2}/{J}_{1}<0.250.22<J2​/J1​<0.25, both spin and dimer orders vanish in the thermodynamic limit, which is consistent with a possible spin liquid phase. We present calculations of the topological entanglement entropy, compare the DMRG results with the variational Monte Carlo, and discuss possible scenarios in the thermodynamic limit for this region.
We revisit the issue about the magnetization of the 120° order in the spin-1/2 triangular lattice Heisenberg model with density matrix renormalization group (DMRG). The accurate determination of the magnetization of this model is challenging for numerical methods and its value exhibits substantial disparities across various methods. We perform a large-scale DMRG calculation of this model by employing bond dimension as large asD=24000and by studying the system with width as large asLy=12. With careful extrapolation with truncation error and suitable finite size scaling, we give a conservative estimation of the magnetization asM0=0.208(8). The ground state energy per site we obtain isEg=-0.5503(8). Our results provide valuable benchmark values for the development of new methods in the future.