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arXiv:0710.3506 · International Journal of Modern Physics B

DYNAMICS IN ONE-DIMENSIONAL SPIN SYSTEMS – DENSITY MATRIX RENORMALIZATION GROUP STUDY

Satoshi Nishimoto, M. ARIKAWA

Published May 30, 2007• 7 citations
arXivHTMLPDF

Abstract

We study the one-dimensional S = 1/2 Heisenberg model with an uniform and a staggered magnetic fields, using the dynamical density-matrix renormalization group (DDMRG) technique. The DDMRG enables us to investigate the dynamical properties of chain with lengths up to a few hundreds, and the results are numerically exact in the same sense as 'exact diagonalization' results are. Thus, we can analyze the low-energy spectrum almost in the thermodynamic limit. In this work, we calculate the dynamical spin structure factor and demonstrate the performance of the DDMRG method applying the open-end boundary conditions as well as the periodic boundary conditions.

DOI
10.1142/s0217979207043646

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We study the one-dimensional S = 1/2 Heisenberg model with an uniform and a staggered magnetic fields, using the dynamical density-matrix renormalization group (DDMRG) technique. The DDMRG enables us to investigate the dynamical properties of chain with lengths up to a few hundreds, and the results are numerically exact in the same sense as 'exact diagonalization' results are. Thus, we can analyze the low-energy spectrum almost in the thermodynamic limit. In this work, we calculate the dynamical spin structure factor and demonstrate the performance of the DDMRG method applying the open-end boundary conditions as well as the periodic boundary conditions.
The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the quantum system is mapped onto a two-dimensional classical system by a Trotter-Suzuki decomposition. Here we discuss two different mappings: The standard mapping onto a two-dimensional lattice with checkerboard structure as well as an alternative mapping introduced by two of us. For the classical system an appropriate quantum transfer matrix is defined which is then treated using a DMRG scheme. As applications, the calculation of thermodynamic properties for a spin-1/2 Heisenberg chain in a staggered magnetic field and the calculation of boundary contributions for open spin chains are discussed. Finally, we show how to obtain real time dynamics from a classical system with complex Boltzmann weights and present results for the autocorrelation function of the XXZ-chain.
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.
Using the density-matrix-renormalization-group technique, we calculate numerically the low-energy excitation spectrum and magnetization curve of the spin-1 antiferromagnetic chain in a staggered magnetic field, which is expected to describe the physics of the ${R}_{2}{\mathrm{BaNiO}}_{5} (R\ensuremath{\ne}Y)$ family below the N\'eel temperature of the magnetic rare-earth (R) sublattice. These results are valid in the entire range of the staggered field, and agree with those given by the nonlinear $\ensuremath{\sigma}$ model study for small fields, but differ from the latter for large fields. They are consistent with the available experimental data. The correlation functions for this model are also calculated. The transverse correlations display the anticipated exponential decay with shorter correlation length, while the longitudinal correlations show explicitly the induced staggered magnetization.
One dimensional quantum magnets have always been an active area of research due to their experimental realizability and the rich physics that they offer. By including geometrical frustration and additional interactions, it leads to even more novel and exotic quantum phases. In this thesis, we present the results of our investigations conducted by extending the quantum systems to spin–1. We conducted static, topological and dynamical calculations numerically on the spin–1 Heisenberg chain with Dzyaloshinskii–Moriya interaction in a uniform magnetic field in the form of a spin–1 Heisenberg chain in a helical magnetic field as well as the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices. For the spin–1 Heisenberg chain in a helical field, we obtained the phase diagram using the density matrix renormalization group method and showed conclusively that the helical field destroys any topological order. We also obtained the dynamical spin structure factor spectra to study the magnon band structures and the softening of the modes near phase transitions. We then investigated the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices using both exact diagonalization and the density matrix renormalization group method. We obtained the phase diagrams for both systems and explicitly calculated the magnetization, static spin structure and topological order of the different phases. Similar to the spin–1 Heisenberg chain in a helical magnetic field, we also obtained the dynamical spin structure factor spectra to study the characteristics of the lowest excitation occurring in both quantum systems.
Exact diagonalization of small model systems gives the thermodynamics of spin chains or quantum cell models at high temperatures TTT. Density matrix renormalization group calculations of progressively larger systems are used to obtain excitations up to a cutoff WC{W}_{C}WC​ and the low-TTT thermodynamics. The hybrid approach is applied to the magnetic susceptibility $\ensuremath{\chi}(T)$ and specific heat C(T)C(T)C(T) of spin-1/21/21/2 chains with isotropic exchange such as the linear Heisenberg antiferromagnet and the frustrated ${J}_{1}\ensuremath{-}{J}_{2}$ model with ferromagnetic J1<0{J}_{1}<0J1​<0 and antiferromagnetic J2>0{J}_{2}>0J2​>0. The hybrid approach is fully validated by comparison with Heisenberg antiferromagnet results. It extends ${J}_{1}\ensuremath{-}{J}_{2}$ thermodynamics down to $T\ensuremath{\sim}0.01|{J}_{1}|$ for ${J}_{2}/|{J}_{1}|\ensuremath{\ge}{\ensuremath{\alpha}}_{c}=1/4$ and is consistent with other methods. The criterion for the cutoff WC(N){W}_{C}(N)WC​(N) in systems of NNN spins is discussed. The cutoff leads to bounds for the thermodynamic limit that are best satisfied at a specific T(N)T(N)T(N) at system size NNN.
In this thesis, we deal with 1-dimensional anisotropic spin models more specifically with the chain and ladder geometries. These models are fundamental to the study of condensed matter theory and quantum magnetism because of their simplicity. Research into the chain model dates back to 1930s with Hans Bethe. One method to study these systems is through numerical analysis including renormalization group techniques. These allow for the diagonalization of the Hamiltonian without sacrificing computation to a large virtual Hilbert space. In this thesis, we present results for both the spin chain and spin ladder geometries in open boundary conditions. This work uses the density matrix renormalization group technique to calculate system energy. Initially we will present a study into the spin energy gap of the spin-\sfrac{1}{2} anisotropic (XXZ) Heisenberg chain in open boundary conditions (OBCs). The energy gap is shown to be reduced to half in the ground sector when compared to periodic boundary conditions (PBCs) due to edge effects. Secondly, a full phase diagram for the spin-\sfrac{1}{2} anisotropic Heisenberg ladder is presented which shows the emergence of a rich schematic with a variety of phases. Lastly, weak coupling limit maps are compared to quantum field theory phase transition predictions. This research was motivated by the lack of comprehensive phase diagram results for ladders and by real materials being investigated at the University of Kent.