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arXiv:cond-mat/9704185 · Physical Review Letters

Local Enhancement of Antiferromagnetic Correlations by Nonmagnetic Impurities

George Balster Martins, Markus Laukamp, José A. Riera, Elbio R. Dagotto

Published May 5, 1997• 102 citations
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Abstract

The local enhancement of antiferromagnetic correlations near vacancies observed in a variety of spin systems is analyzed in a single framework. Variational calculations suggest that the resonating-valence-bond character of the spin correlations at short distances is responsible for the enhancement. Numerical results for uniform spin chains, with and without frustration, dimerized chains, ladders, and two dimensional clusters are in agreement with our conjecture. This short distance phenomenon occurs independently of the long distance behavior of the spin correlations in the undoped system. Experimental predictions for a variety of compounds are briefly discussed.

DOI
10.1103/physrevlett.78.3563

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The local enhancement of antiferromagnetic correlations near vacancies observed in a variety of spin systems is analyzed in a single framework. Variational calculations suggest that the resonating-valence-bond character of the spin correlations at short distances is responsible for the enhancement. Numerical results for uniform spin chains, with and without frustration, dimerized chains, ladders, and two dimensional clusters are in agreement with our conjecture. This short distance phenomenon occurs independently of the long distance behavior of the spin correlations in the undoped system. Experimental predictions for a variety of compounds are briefly discussed.
Spin models that have been proposed to describe dimerized chains, ladders, two-dimensional antiferromagnets, and other compounds are studied here when some spins are replaced by spinless vacancies, such as it occurs by Zn doping. A small percentage of vacancies rapidly destroys the spin gap, and their presence induces enhanced antiferromagnetic correlations near those vacancies. The study is performed with computational techniques which includes Lanczos, world-line Monte Carlo, and the density-matrix renormalization-group methods. Since the phenomenon of enhanced antiferromagnetism is found to occur in several models and cluster geometries, a common simple explanation for its presence may exist. It is argued that the resonating-valence-bond character of the spin correlations at short distances of a large variety of models is responsible for the presence of robust staggered spin correlations near vacancies and lattice edges. The phenomenon takes place regardless of the long distance properties of the ground state, and it is caused by a ``pruning'' of the available spin singlets in the vicinity of the vacancies. The effect produces a broadening of the low-temperature NMR signal for the compounds analyzed here. This broadening should be experimentally observable in the structurally dimerized chain systems $\mathrm{Cu}({\mathrm{NO}}_{3}{)}_{2}\ensuremath{\cdot}2.5{\mathrm{H}}_{2}\mathrm{O}$, CuWO4{\mathrm{CuWO}}_{4}CuWO4​, (VO)2P2O7(\mathrm{VO}{)}_{2}{\mathrm{P}}_{2}{\mathrm{O}}_{7}(VO)2​P2​O7​, and Sr14Cu24O41,{\mathrm{Sr}}_{14}{\mathrm{Cu}}_{24}{\mathrm{O}}_{41},Sr14​Cu24​O41​, in ladder materials such as SrCu2O3{\mathrm{SrCu}}_{2}{\mathrm{O}}_{3}SrCu2​O3​, in the spin-Peierls systems CuGeO3{\mathrm{CuGeO}}_{3}CuGeO3​ and NaV2O5{\mathrm{NaV}}_{2}{\mathrm{O}}_{5}NaV2​O5​, and in several others since it is a universal effect common to a wide variety of models and compounds. In addition, it is argued that the N\'eel order observed in SrCu2O3{\mathrm{SrCu}}_{2}{\mathrm{O}}_{3}SrCu2​O3​ upon Zn doping is induced by the local antiferromagnetic order discussed in this paper, enhanced by a favorable ratio between the actual Heisenberg couplings along chains and rungs, as reported in recent experimental literature. Based on this reasoning it is predicted here that other ladder materials such as Zn-doped Cu2(C5H12N2)2Cl4{\mathrm{Cu}}_{2}({\mathrm{C}}_{5}{\mathrm{H}}_{12}{\mathrm{N}}_{2}{)}_{2}{\mathrm{Cl}}_{4}Cu2​(C5​H12​N2​)2​Cl4​ will not present N\'eel order at small Zn concentrations.
The effects of spin-1 impurities introduced in dimerized antiferromagnetic spin chains are studied using Lanczos diagonalization and quantum Monte Carlo simulations. First, the magnitude of the interaction between a Ni ion replacing a Cu ion is derived for the case study system Cu-O-Cu. Then, it is shown that the introduction of S=1S=1S=1 impurities leads to the suppression of the original spin gap of the dimerized system and to the enhancement of the antiferromagnetic correlations close to the impurity. These features are interpreted in terms of a valence bond picture of the ground state of both the pure and the doped system. The similitudes and differences between the underlying mechanisms that produce these effects in the cases of nonmagnetic and S=1S=1S=1 impurities are analyzed. It is stressed that a singlet formed between the spin-1 impurity site and the two spin-1/2 neighbors spins behaves as an effective nonmagnetic vacancy which may be partially responsible for the enhancement of the antiferromagnetic correlations on the whole system. Implications of these results for experiment are also discussed.
We are considering the interplay between several non-magnetic impurities in the spin-(1/2) Heisenberg antiferromagnet in chains, ladders and planes by introducing static vacancies in numerical quantum Monte Carlo simulations. The effective potential between two and more impurities is accurately determined, which gives a direct measure of the quantum correlations in the systems. Large effective interaction potentials are an indication of strong quantum correlations in the system and reflect the detailed nature of the valence bond ground states. In two-dimensions (2D) the interactions are smaller, but can still be analyzed in terms of valence bonds.
We are considering the interplay between several non-magnetic impurities in the spin-(1/2) Heisenberg antiferromagnet in chains, ladders and planes by introducing static vacancies in numerical quantum Monte Carlo simulations. The effective potential between two and more impurities is accurately determined, which gives a direct measure of the quantum correlations in the systems. Large effective interaction potentials are an indication of strong quantum correlations in the system and reflect the detailed nature of the valence bond ground states. In two-dimensions (2D) the interactions are smaller, but can still be analyzed in terms of valence bonds.
Effects of nonmagnetic impurity doping on an AF spin-1/2 Heisenberg ladder system are studied by the QMC method. A single nonmagnetic impurity induces a localized spin-1/2 moment accompanied by "static" and enhanced AF correlations around it. Small and finite concentration of impurities induces a remarkable change of magnetic and thermodynamic properties with gapless excitations. It also shows rather sharp but continuous crossover around the concentration of about 4%. Above the crossover concentration, all the spins are strongly coupled participating in the enhanced and rather uniform power-law decay of the antiferromagnetic correlation. Below the crossover, each impurity forms an antiferromagnetic cluster only weakly coupled each other. For random distribution of impurities, large Curie-like susceptibility accompanied with small residual entropy is obtained at low temperatures in agreement with recent experimental observation in Zn-doped SrCu2O3SrCu_{2}O_{3}SrCu2​O3​. Temperature dependence of AF susceptibility shows power-law-like but weaker divergence than the single chain AFH in the temperature range studied.