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Physical review. B, Condensed matter

Magnetic impurity coupled to a Heisenberg chain: Density-matrix renormalization-group study

W. Zhang, J. Igarashi, Peter Fulde

Published Jul 1, 1997• 24 citations
Publisher

Abstract

By making use of the Lanczos and the density-matrix renormalization-group methods, we study the zero-temperature properties of a spin-1/2 antiferromagnetic Heisenberg chain system with a spin-1/2 magnetic impurity symmetrically coupled to its two nearest-neighbor spins. A comparison is made with the results for a magnetic impurity coupled only to the nearest-neighbor spin in the chain. The binding energy and the spin correlations are calculated. The matrix elements of the impurity spin operators are also calculated between several low-energy states. By carefully analyzing finite-size effects, we show that the dynamical structure factor of the impurity contains a \ensuremath{\delta}-function contribution at zero frequency which does not vanish in the thermodynamic limit for the case of symmetrical coupling. This indicates a partial decoupling of the impurity spin from the spins in the chain, and therefore the impurity susceptibility is predicted to show a Curie behavior. This contradicts the two-channel Kondo behavior suggested from analytic considerations.

DOI
10.1103/physrevb.56.654

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By making use of the Lanczos and the density-matrix renormalization-group methods, we study the zero-temperature properties of a spin-1/2 antiferromagnetic Heisenberg chain system with a spin-1/2 magnetic impurity symmetrically coupled to its two nearest-neighbor spins. A comparison is made with the results for a magnetic impurity coupled only to the nearest-neighbor spin in the chain. The binding energy and the spin correlations are calculated. The matrix elements of the impurity spin operators are also calculated between several low-energy states. By carefully analyzing finite-size effects, we show that the dynamical structure factor of the impurity contains a \ensuremath{\delta}-function contribution at zero frequency which does not vanish in the thermodynamic limit for the case of symmetrical coupling. This indicates a partial decoupling of the impurity spin from the spins in the chain, and therefore the impurity susceptibility is predicted to show a Curie behavior. This contradicts the two-channel Kondo behavior suggested from analytic considerations.
We calculate the impurity susceptibility for a spin-1/2 magnetic impurity symmetrically coupled to its two nearest-neighbor spins in an antiferromagnetic Heisenberg spin-1/2 chain. This is done by extending White's density-matrix renormalization group (DMRG) technique to finite temperatures. It is found that the impurity susceptibility satisfies Curie law at low temperatures, and that the Curie constant decreases rapidly with increasing coupling constant between the impurity spin and the spins in the chain. For strong couplings, a logarithmic dependence of the susceptibility on temperature emerges. The Curie law behavior agrees with the DMRG analysis at zero temperature but deviates from the prediction of conformal field theory.
By extending White's density-matrix renormalization group (DMRG) technique to finite temperatures, we calculate the impurity susceptibility for the following systems: (a) a spin-1/2 impurity coupled to a single site of an antiferromagnetic Heisenberg spin-1/2 chain and (b) an impurity coupled symmetrically to the two spins at the open ends of the chain. We also perform a Monte Carlo simulation and show that the DMRG adaptation gives reliable results. The calculated impurity susceptibility shows Pauli-like behavior at low temperatures in the former case while a ln T divergence is found in the latter case, in agreement with predictions based on conformal field theory.
The Kondo effect in a one-dimensional spin-12\frac{1}{2}21​ XXZ\mathrm{XXZ}XXZ model in the gapless XY\mathrm{XY}XY regime $(\ensuremath{-}1<\ensuremath{\Delta}<~1)$ is studied both analytically and numerically. In our model an impurity spin (S=1/2)(S=1/2)(S=1/2) is coupled to a single spin in the XXZ\mathrm{XXZ}XXZ spin chain. Perturbative renormalization-group (RG) analysis is performed for various limiting cases to deduce low-energy fixed points. It is shown that in the ground state the impurity spin is screened by forming a singlet with a spin in the host XXZ\mathrm{XXZ}XXZ chain. In the antiferromagnetic side $(0<\ensuremath{\Delta}<~1)$ the host chain is cut into two semi-infinite chains by the singlet. In the ferromagnetic side $(\ensuremath{-}1<\ensuremath{\Delta}<0),$ on the other hand, the host XXZ\mathrm{XXZ}XXZ chain remains as a single chain through ``healing'' of a weakened bond in the low-energy (long-distance) limit. The density-matrix renormalization-group method is used to study the size scaling of finite-size energy gaps and the power-law decay of correlation functions in the ground state. The numerical results are in good agreement with the predictions of the RG analysis. Low-temperature behaviors of specific heat and susceptibility are also discussed.
We consider a magnetic S = 1/2 impurity in the antiferromagnetic spin chain as a function of two coupling parameters: the symmetric coupling of the impurity to two sites in the chain J1 and the coupling between the two sites J2. By using field theory arguments and numerical calculations we can identify all possible fixed points and classify the renormalization flow between them, which leads to a nontrivial phase diagram. Depending on the detailed choice of the two (frustrating) coupling strengths, the stable phases correspond either to a decoupled spin with Curie law behavior or to a non-Fermi-liquid fixed point with a logarithmically diverging impurity susceptibility as in the two-channel Kondo effect. Our results resolve a controversy about the renormalization flow.
In the framework of the exactly solvable model, using nonperturbative methods, the temperature and magnetic field behavior of the NMR relaxation rate (and low-energy dynamical structure factor) for the antiferromagnetic Heisenberg spin-1/2 chain with magnetic impurities is calculated. For a single magnetic impurity, totally screened at low temperatures by spinons of the chain, the critical exponents, which determine the low-temperature and magnetic field behavior, get renormalized. For the finite concentration of impurities with the random distribution of the impurity-chain coupling the weak disorder in the distribution does not produce essential changes to the dynamical structure factor. Contrary, the strong disorder yields drastically different behavior of the low-energy dynamical characteristics, comparing to the homogeneous chain. Our results are generic, and they qualitatively agree in limiting cases with the results of perturbative calculations for disordered spin chains and with the data of experiments on quasi-one-dimensional spin compounds.
The Kondo model describes a magnetic impurity in a metallic host. Here, the authors use variational approaches (Lanczos, Yosida, Gutzwiller) and quasi-exact numerical techniques (numerical renormalization group, density matrix renormalization group) to study the ground-state energy and magnetization, and compare these properties to Bethe ansatz results. The Gutzwiller wave function is an excellent trial state for strong coupling. For weak coupling, the numerical renormalization group gives the best description of the magnetic properties. A combination of Bethe ansatz and perturbation theory provides new benchmark results for the zero-field susceptibility.