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Journal of Applied Physics

Nonmagnetic impurities in a two-leg Hubbard ladder

Amal Medhi, Saurabh Basu, Charudatt Kadolkar

Published Mar 26, 2007• 2 citations
Publisher

Abstract

Magnetic correlations are studied in a two-leg Hubbard ladder doped with nonmagnetic impurities using finite temperature quantum Monte Carlo (FTQMC) method. A number of relevant macroscopic quantities calculated as a function of temperature T and impurity concentration are found to exhibit significantly renormalized behavior, a feature noted in many experiments. The uniform magnetic susceptibility χ0(T) for the impurity doped system shows a cusplike behavior followed by a sharp increase at lower temperatures, signaling the formation of impurity induced free magnetic moments, while it diminishes rapidly for the pure system. The spin correlations are found to increase in the vicinity of an impurity. To investigate the effect of nonmagnetic impurities on the spin wave modes in the system, spin wave velocity vsw is calculated as a function of impurity concentration. The result shows that vsw is reduced by nonmagnetic impurities, indicating softening of the modes. Simulations are performed slightly away from half filling and kinetic energy of the electrons in the neighborhood of an impurity site is calculated to study the interplay between impurities and holes. However, contrary to previous experimental observations on two dimensional lattices where nonmagnetic impurities reduce hole mobility, no noticeable effect of impurity on the mobility of the neighboring electrons is found in our calculation.

DOI
10.1063/1.2709412

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Magnetic correlations are studied in a two-leg Hubbard ladder doped with nonmagnetic impurities using finite temperature quantum Monte Carlo (FTQMC) method. A number of relevant macroscopic quantities calculated as a function of temperature T and impurity concentration are found to exhibit significantly renormalized behavior, a feature noted in many experiments. The uniform magnetic susceptibility χ0(T) for the impurity doped system shows a cusplike behavior followed by a sharp increase at lower temperatures, signaling the formation of impurity induced free magnetic moments, while it diminishes rapidly for the pure system. The spin correlations are found to increase in the vicinity of an impurity. To investigate the effect of nonmagnetic impurities on the spin wave modes in the system, spin wave velocity vsw is calculated as a function of impurity concentration. The result shows that vsw is reduced by nonmagnetic impurities, indicating softening of the modes. Simulations are performed slightly away from half filling and kinetic energy of the electrons in the neighborhood of an impurity site is calculated to study the interplay between impurities and holes. However, contrary to previous experimental observations on two dimensional lattices where nonmagnetic impurities reduce hole mobility, no noticeable effect of impurity on the mobility of the neighboring electrons is found in our calculation.
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.
We discuss the effects of nonmagnetic impurities (static holes) in the S=1/2S=1/2S=1/2 Heisenberg model on a two-dimensional (2D) square lattice, and on two- and three-leg ladders. Results of quantum Monte Carlo simulations show that a free localized moment is induced around an isolated impurity only in the spin-gapped two-leg ladder, in agreement with previous theoretical expectations. The localization length of the S=1/2S=1/2S=1/2 impurity moment in a two-leg ladder with isotropic couplings is $\ensuremath{\approx}1.5$ lattice spacings. In gapless ladders (odd number of legs) and in the 2D lattice, no free moments are induced. However, in the 2D system, which has antiferromagnetic long-range order at T=0T=0T=0 and a gap for longitudinal fluctuations, the impurity leads to a localized distortion of the magnetization in the direction of the broken symmetry, with total Sz=1/2.{S}^{z}=1/2.Sz=1/2. The shape of the distortion is in close agreement with previous spin-wave calculations. For all the systems, a staggered moment is induced by the impurity. For the gapped two-leg ladder this is exponentially localized within a length equal to the spin correlation length of the ladder ($\ensuremath{\approx}3.2$ lattice spacings). For the three-leg ladder, the integrated staggered moment diverges as the system size goes to infinity, but the staggered magnetization at a given site appears to vanish. In 2D, we discuss the behavior seen in finite systems both with and without additional symmetry-breaking mechanisms. We also discuss the effect of impurities on the NMR Knight shift and the bulk magnetic susceptibility.
Effects of nonmagnetic impurity doping in a spin ladder system with a spin gap are investigated by the exact diagonalization as well as by the variational Monte Carlo calculations. Substantial changes in macroscopic properties such as enhancements in spin correlations and magnetic susceptibilities are observed in the low impurity concentration region, which are caused by the increase of low-energy states. These results suggest that small but finite amount of nonmagnetic impurity doping relevantly causes the reduction or the vanishment of the spin gap. This qualitatively explains the experimental result of Zn-doped SrCu2_{2}2​O3_{3}3​ where small doping induces gapless nature. We propose a possible scenario for this drastic change as a quantum phase transition in a spin gapped ladder system due to spinon doping effects.
We present a quantum Monte Carlo study for Heisenberg spin-12\frac{1}{2}21​ two-leg ladder systems doped with nonmagnetic impurities. The simulations are applied to the doped spin-ladder compound Sr(Cu${}_{1\ensuremath{-}x}$Znx{}_{x}x​)2{}_{2}2​O3{}_{3}3​, where a large broadening of the 65{}^{65}65Cu NMR lines has been observed in experiment at low temperatures but far above the N\'eel temperature. We find that interladder couplings with a sizable coupling in the stacking direction are required to describe the line broadening, which cannot be explained by considering a single ladder only. Around a single impurity, spin correlations cause an exponentially decaying antiferromagnetic local magnetization in a magnetic field. We develop an effective model for the local magnetization of systems with many randomly distributed impurities, with few parameters which can be extracted out of quantum Monte Carlo calculations with a single impurity. The broadening arises from a drag effect, where the magnetization around an impurity works as an effective field for spins on the neighboring ladders, causing a nonexponentially decaying magnetization cloud around the impurity. Our results show that even for impurity concentrations as small as x=0.001x=0.001x=0.001 and x=0.0025x=0.0025x=0.0025, the broadening effect is large, in good quantitative agreement with experiment. We also develop a simple model for the effective interaction of two impurity spins.
The magnetic responses of a spin-1/21/21/2 ladder doped with nonmagnetic impurities are studied combining both analytical and numerical methods. The regime where frustration induces incommensurability is taken into account. Several improvements are made on the results of the seminal work by Sigrist and Furusaki [M. Sigrist and A. Furusaki, J. Phys. Soc. Jpn. 65, 2385 (1996)] and deviations from the Brillouin magnetization curve due to interactions are also analyzed. We first discuss the magnetic profile around a single impurity and the effective interactions between impurities within the bond-operator mean-field theory. The results are compared to density-matrix renormalization group calculations. In particular, these quantities are shown to be sensitive to the transition to the incommensurate regime. We then focus on the behavior of the zero-field susceptibility through an effective Curie constant. At zero temperature, we give doping-dependent corrections to the results of Sigrist and Furusaki on general bipartite lattices and compute exactly the distribution of ladder clusters due to chain breaking effects. Solving the effective model with exact diagonalization and quantum Monte Carlo simulations gives the temperature dependence of the Curie constant. Its high-temperature limit is understood within a random dimer model, while the low-temperature tail is compatible with a real-space renormalization group scenario. Interestingly, solving the full microscopic model does not show a plateau corresponding to the saturation of the impurities in isotropic ladders. The second magnetic response that is analyzed is the magnetic curve. Below fields of the order of the spin gap, the magnetization process is controlled by the physics of interacting impurity spins. The random dimer model is shown to capture the bulk of the curve, accounting for the deviation from a Brillouin behavior due to interactions. The effective model calculations agree rather well with density-matrix renormalization group calculations at zero temperature and with quantum Monte Carlo simulations at finite temperature. In all, the effect of incommensurability does not display a strong qualitative effect on both the magnetic susceptibility and the magnetic curve. Consequences for experiments on the BiCu2{}_{2}2​PO6{}_{6}6​ compound and other spin-gapped materials are briefly mentioned.
Local magnetic moments induced by a nonmagnetic impurity in the two-dimensional $t\ensuremath{-}J$ model are investigated by use of a Green function method in a finite-size system (50\ifmmode\times\else\texttimes\fi{}50=2500 sites). Local electron number and nearest-neighbor correlation functions are calculated self-consistently at each lattice point. A local electron number distribution shows that electrons form a bound state around an impurity site and the magnitude of the local moment is enhanced, whereas doped holes can be distributed only apart from the impurity site and destroy an antiferromagnetic spin configuration by their motion. This result is consistent with experimental results of Zn-doped high-Tc{T}_{c}Tc​ superconductors.