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Journal of the Physical Society of Japan

Density-Matrix Renormalization Group Study on an Impurity Symmetrically Coupled to a Quantum Heisenberg Chain

Weijie Zhang, Jun-ichi Igarashi, Peter Fulde

Published May 15, 1998• 4 citations
Publisher

Abstract

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.

DOI
10.1143/jpsj.67.1537

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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.
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 investigate the low-temperature thermodynamics of the spin-1/2 Heisenberg chain with open ends. On the basis of boundary conformal field theory arguments and numerical density matrix renormalization group calculations, it is established that in the isotropic case the impurity susceptibility exhibits a Curie-like divergent behavior as the temperature decreases, even in the absence of magnetic impurities. A similar singular temperature dependence is also found in the boundary contributions of the specific heat coefficient. In the anisotropic case, for 1/2<Delta<1, these boundary quantities still show a singular temperature dependence obeying a power law with an anomalous dimension. Experimental consequences will be discussed.
The thermodynamics of finite open antiferromagnetic XXZ chains is studied using field theory, Bethe ansatz and quantum Monte Carlo methods. For the susceptibility a parameter-free result as a function of the number of sites L and temperature T beyond the scaling limit is derived. The limiting cases ( J being the exchange constant), where the boundary correction shows a logarithmically suppressed Curie behaviour, and , where a crossover to the ground state behaviour takes place, are discussed in detail. On the basis of this analysis we present a simple formula for the averaged susceptibility of a spin-1/2 chain doped with non-magnetic impurities. We show that the effective Curie constant has a highly non-trivial temperature dependence and shows scaling in the low temperature limit. Finally, corrections due to intrachain and interchain couplings and implications for experiments on Sr 2 Cu 1− x Pd x O 3+δ and related compounds are discussed.
We connected the two ends of a finite spin-1/2 antiferromagnetic Ising chain with a magnetic impurity at one end to form a closed ring, and studied its magnetic susceptibility exactly by using the transfer matrix method. We calculated the magnetic susceptibility in the whole temperature range and gave the phase diagram at ground state of the system about the anisotropy of the impurity and strength of the connection exchange interaction for spin-1 and -3/2 impurities. We also gave the ground state entropy of the system and derived the asymptotic expression of the magnetic susceptibility multiplied by temperature at the zero-temperature limit and the high-temperature limit. It was found that a degenerate phase may exist in some parameter region at zero temperature for the odd spin number system, and the ground state entropy is ln(2) in the nondegenerate phase and is dependent on the spin number in the degenerate phase. The magnetic susceptibility of the system at low temperature exhibits ferromagnetic behavior, and the Curie constant is related to the spin configuration at ground state. When the ground state is nondegenerate, the Curie constant is equal to the square of the net spin, regardless of the parity of the number of the spin. When the spin number is odd and the ground state is degenerate, the Curie constant may be related to the total spin number. At the high-temperature limit, the magnetic susceptibility multiplied by temperature is related to the spin quantum number of the impurity and the spin number in the ring.
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.