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Physical review. B, Condensed matter

Local magnetic moments induced by a nonmagnetic impurity in the two-dimensional t−J model

Satoru Odashima, H. Matsumoto

Published Jul 1, 1997• 16 citations
Publisher

Abstract

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-${T}_{c}$ superconductors.

DOI
10.1103/physrevb.56.126

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Physical review. B, Condensed matter•Nov 1, 1997•49 citations
Local magnetic moments induced by a nonmagnetic impurity in the two-dimensional t\ensuremath−Jt\ensuremath{-}Jt\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.
We study the interplay of quantum impurity, and collective spinon and holon dynamics in Zn doped high-Tc_cc​ cuprates in the normal state. The two-dimensional t-t′^{\prime}′-J models with one and a small amount of Zn impurity are investigated within a numerical method based on the double-time Green function theory. We study the inhomogeneities of holon density and antiferromagnetic correlation background in cases with different Zn concentrations, and obtain that doped holes tend to assemble around the Zn impurity with their mobility being reduced. Therefore a bound state of holon is formed around the nonmagnetic Zn impurity with the effect helping Zn to introduce local antiferromagnetism around itself. The incommensurate peaks we obtained in the spin structure factor indicate that Zn impurities have effects on mixing the q=(πππ, πππ) and q=0 components in spin excitations.
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.
We study the two-dimensional Hubbard model with nonmagnetic Zn impurities modeled by binary diagonal disorder using quantum Monte Carlo within the dynamical cluster approximation. With increasing Zn content we find a strong suppression of d-wave superconductivity and an enhancement of antiferromagnetic spin correlations. T(c) vanishes linearly with Zn impurity concentration. The spin susceptibility changes from pseudogap to Curie-Weiss-like behavior indicating the existence of free magnetic moments in the Zn doped system. We interpret these results within the resonating-valence-bond picture.
The effect of static impurities in a two-dimensional quantum antiferromagnet has been studied. Creation of a vacancy in an antiferromagnetic lattice yields an impurity Hamiltonian whose x-y part maps to single impurity Anderson model whereas the z-part becomes the X-ray singularity problem. The model is solved where one obtains a bound state giving rise to δ-function density of states. The z-part of the interaction makes this peak asymmetric which follows a power law. It has been argued that the bound state corresponds to a local moment in the system giving rise to Curie-like contribution to the susceptibility. The implications of the present model in the substitutional Zn doped high-T c oxides have been discussed.
In order to investigate the effects of nonmagnetic impurities in strongly correlated systems, quantum Monte Carlo (QMC) simulations have been carried out for the doped two-dimensional Hubbard model with one nonmagnetic impurity. Using a bare impurity potential which is onsite and attractive, magnetic and single-particle properties have been calculated. The QMC results show that giant oscillations develop in the Knight shift response around the impurity site due to the short-range antiferromagnetic correlations. These results are useful for interpreting the NMR data on Li- and Zn-substituted layered cuprates.
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.