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Physical review. B, Condensed matter

Magnetic impurities in half-integer-spin Heisenberg antiferromagnetic chains

Sebastian Eggert, Ian K. Affleck

Published Nov 1, 1992• 444 citations
Publisher

Abstract

We study the effect of an isolated impurity on the low-energy properties of a half-odd-integer-spin Heisenberg antiferromagnetic chain using both numerical and conformal field theory techniques. The impurity corresponds to the substitution of a magnetic ion by a different ion with the same or different spin, or else to the coupling of a magnetic impurity to a single spin on the chain. Depending on which kind of impurity is present, the low-energy behavior corresponds either to a ``healing'' of the defect or else to a severing of the chain at the impurity location. In both cases there is a coupling-dependent length scale over which magnetic screening takes place. Analogies with the Kondo effect are elucidated.

DOI
10.1103/physrevb.46.10866

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We study the effect of an isolated impurity on the low-energy properties of a half-odd-integer-spin Heisenberg antiferromagnetic chain using both numerical and conformal field theory techniques. The impurity corresponds to the substitution of a magnetic ion by a different ion with the same or different spin, or else to the coupling of a magnetic impurity to a single spin on the chain. Depending on which kind of impurity is present, the low-energy behavior corresponds either to a ``healing'' of the defect or else to a severing of the chain at the impurity location. In both cases there is a coupling-dependent length scale over which magnetic screening takes place. Analogies with the Kondo effect are elucidated.
We investigate the boundary effects that arise when spin-12\frac{1}{2}21​ impurities interact with the edges of the antiferromagnetic spin-12\frac{1}{2}21​ Heisenberg chain through spin exchange interactions. We consider both cases when the couplings are ferromagnetic or antiferromagnetic. We find that in the case of antiferromagnetic interaction, when the impurity coupling strength is much weaker than that in the bulk, the impurity is screened in the ground state via the Kondo effect. The Kondo phase is characterized by the Lorentzian density of states and a dynamical scale, the Kondo temperature TK{T}_{K}TK​, is generated. As the impurity coupling strength increases, TK{T}_{K}TK​ increases until it reaches its maximum value ${T}_{0}=2\ensuremath{\pi}J$ which is the maximum energy carried by a single spinon. When the impurity coupling strength is increased further, we enter another phase, the bound mode phase, where the impurity is screened in the ground state by a single particle bound mode exponentially localized at the edge to which the impurity is coupled. We find that, in contrast to the Kondo phase, the impurity can be unscreened by unoccupying the single particle bound mode. This costs an energy Eb{E}_{b}Eb​ that is greater than T0{T}_{0}T0​. There exists a boundary eigenstate phase transition between the Kondo and the bound-mode phases, a transition which is characterized by the change in the number of towers of the Hilbert space. The transition also manifests itself in local thermodynamic quantities---local impurity density of states and the local impurity magnetization in the ground state. When the impurity coupling is ferromagnetic, the impurity is unscreened in the ground state; however, when the absolute value of the ratio of the impurity and bulk coupling strengths is greater than 45\frac{4}{5}54​, the impurity can be screened by adding a bound mode that costs energy greater than T0{T}_{0}T0​. When two impurities are considered, the phases exhibited by each impurity remain unchanged in the thermodynamic limit, but nevertheless the system exhibits a rich phase diagram.
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.
We investigate the boundary effects that arise when spin-12\frac{1}{2}21​ impurities interact with the edges of the antiferromagnetic spin-12\frac{1}{2}21​ Heisenberg chain through spin exchange interactions. We consider both cases when the couplings are ferromagnetic or anti-ferromagnetic. We find that in the case of antiferromagnetic interaction, when the impurity coupling strength is much weaker than that in the bulk, the impurity is screened in the ground state via the Kondo effect. The Kondo phase is characterized by the Lorentzian density of states and dynamically generated Kondo temperature TKT_KTK​. As the impurity coupling strength increases, TKT_KTK​ increases until it reaches its maximum value T0=2πJT_0=2πJT0​=2πJ which is the maximum energy carried by a single spinon. When the impurity coupling strength is increased further, we enter another phase, the bound mode phase, where the impurity is screened in the ground state by a single particle bound mode exponentially localized at the edge to which the impurity is coupled. We find that the impurity can be unscreened by removing the bound mode. There exists a boundary eigenstate phase transition between the Kondo and the bound-mode phases, a transition which is characterized by the change in the number of towers of the Hilbert space. The transition also manifests itself in ground state quantities like local impurity density of states and the local impurity magnetization. When the impurity coupling is ferromagnetic, the impurity is unscreened in the ground state; however, when the absolute value of the ratio of the impurity and bulk coupling strengths is greater than 45\frac{4}{5}54​, the impurity can be screened by adding a bound mode that costs energy greater than T0T_0T0​. When two impurities are considered, the phases exhibited by each impurity remain unchanged in the thermodynamic limit, but nevertheless the system exhibits a rich phase diagram.
Using a one-dimensional spin-orbital model as a typical example of quantum spin systems with richer symmetries, we study the effect of an isolated impurity on its low-energy dynamics in the gapless phase through bosonization and renormalization-group methods. In the case of internal impurities, depending on the symmetry, the boundary fixed points can be either an open chain with a residual spin or (and) orbital triplet left behind, or a periodic chain. However, these two fixed points are indistinguishable in the sense that in both cases, the lead-correction-to-scaling boundary operators (LCBO) only show Fermi-liquid-like corrections to thermodynamical quantities (except the possible Curie-like contributions from the residual moments in the former cases). In the case of external (Kondo) impurities, the boundary fixed points, depending on the sign of orbital couplings, can be either an open chain with an isolated orbital doublet due to Kondo screening or an intermediate fixed point with the same LCBO as that of the two-channel Kondo problem. Comparison with the Kondo effect in one-dimensional Heisenberg spin chain and multiband Hubbard models is also made.
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.
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.