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World Journal of Condensed Matter Physics

An Improved Finite Temperature Lanczos Method and Its Application to the Spin-1/2 Heisenberg Model on the Kagome Lattice

Tomo Munehisa

Published Jan 1, 2014• 11 citations
Publisher

Abstract

We present an improvement of the finite temperature Lanczos method in order to apply this method to systems at very low temperature. One proposal is to introduce two steps in this method. In the first step, we use the Chebyshev polynomial expansion to calculate exp(-H/T1) random vector> at moderate temperature T1. In the second step, we apply the ordinary finite temperature Lanczos method using the calculated state as the initial state of the Lanczos method. Another proposal is to employ a sampling method for selecting a random vector. By this sampling, we can improve an efficiency of calculations. Using the improved finite temperature Lanczos method, we calculate the specific heat of the spin-1/2 Heisenberg model on the kagome lattices of 27 and 30 sites.

DOI
10.4236/wjcmp.2014.43018

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We present an improvement of the finite temperature Lanczos method in order to apply this method to systems at very low temperature. One proposal is to introduce two steps in this method. In the first step, we use the Chebyshev polynomial expansion to calculate exp(-H/T1) random vector> at moderate temperature T1. In the second step, we apply the ordinary finite temperature Lanczos method using the calculated state as the initial state of the Lanczos method. Another proposal is to employ a sampling method for selecting a random vector. By this sampling, we can improve an efficiency of calculations. Using the improved finite temperature Lanczos method, we calculate the specific heat of the spin-1/2 Heisenberg model on the kagome lattices of 27 and 30 sites.
We propose an improved finite temperature Lanczos method using the stochastic state selection method. In the finite temperature Lanczos method, we generate Lanczos states and calculate the eigenvalues. In addition we have to calculate matrix elements that are the values of an operator between two Lanczos states. In the calculations of the matrix elements we have to keep the set of Lanczos states on the computer memory. Therefore the memory limits the system size in the calculations. Here we propose an application of the stochastic state selection method in order to weaken this limitation. This method is to select some parts of basis states stochastically and to abandon other basis state. Only by the selected basis states we calculate the inner product. After making the statistical average, we can obtain the correct value of the inner product. By the stochastic state selection method we can reduce the number of the basis states for calculations. As a result we can relax the limitation on the computer memory. In order to study the Higgs mode at finite temperature, we calculate the dynamical correlations of the two spin operators in the spin-1/2 Heisenberg antiferromagnet on the square lattice using the improved finite temperature Lanczos method. Our results on the lattices of up to 32 sites show that the Higgs mode exists at low temperature and it disappears gradually when the temperature becomes large. At high temperature we do not find this mode in the dynamical correlations.
We propose a numerical technique, the forced-oscillator method, to investigate finite-temperature properties of quantum spin systems. The space and time complexity of this method are linear in the matrix dimension, which should be compared with the square or quadratic dependence of conventional methods. We apply this method to calculations of the specific heat of the spin-1/2 quantum Heisenberg antiferromagnet on the kagome$iaa--- lattice. We find only a single-peak in contrast to a double-peak structure claimed in the literature.
Gutzwiller-projected fermionic states can be efficiently implemented within quantum Monte Carlo calculations to define extremely accurate variational wave functions for Heisenberg models on frustrated two-dimensional lattices, not only for the ground state but also for low-energy excitations. The application of few Lanczos steps on top of these states further improves their accuracy, allowing calculations on large clusters. In addition, by computing both the energy and its variance, it is possible to obtain reliable estimations of exact results. Here, we report the cases of the frustrated Heisenberg models on square and Kagome lattices.
We investigate the spin-1 kagome-lattice Heisenberg antiferromagnet using large-scale Lanczos diagonalization and the finite-temperature Lanczos method. The zero-temperature magnetization process exhibits plateaus at m = 0 , 1 / 3 , 7 / 9 , and 8 / 9 , where m is the normalized magnetization. The m = 0 plateau is identified as a trimer valence-bond-crystal state, while the high-field plateaus at m = 7 / 9 and 8 / 9 are identified as magnon crystals. In particular, the m = 8 / 9 plateau corresponds to the exact localized-magnon crystal state. A smoothed zero-temperature magnetization curve constructed using the Gaussian-kernel smoothing method indicates magnetization jumps at the lower-field edge of the m = 1 / 3 plateau and at the upper-field edges of the m = 7 / 9 and 8 / 9 plateaus. At finite temperatures, the specific heat exhibits a double-peak structure with peaks around T / J ≃ 0.1 and T / J ≃ 1.1 , and the low-temperature peak may be related to trimer valence-bond-crystal ordering. The finite-temperature magnetization curves show that the m = 1 / 3 plateau remains visible at low temperatures, whereas the high-field plateaus are rapidly smeared out by thermal effects. These results provide benchmark data for thermodynamic and high-field magnetization measurements in candidate spin-1 kagome-lattice materials.
We present a modified finite-temperature Lanczos method for the evaluation of dynamical and static quantities of strongly correlated electron systems that complements the finite-temperature method introduced by Jakli\ifmmode \check{c}\else \v{c}\fi{} and Prelov\ifmmode \check{s}\else \v{s}\fi{}ek for low temperatures. Together they allow accurate calculations at any temperature with moderate effort. As an example we calculate the static spin-correlation function and the regular part of the optical conductivity ${\ensuremath{\sigma}}^{\mathrm{reg}}(\ensuremath{\omega})$ of the one-dimensional Hubbard model at half filling and show in detail the connection between the ground-state and finite-temperature method. By using cluster perturbation theory, the finite-temperature spectral function is extended to the infinite system, clearly exhibiting the effects of spin-charge separation.