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Phys. Rev. B 56, 11701–11709 (1997)

Nonmagnetic impurities in spin-gapped and gapless Heisenberg antiferromagnets

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A. W. Sandvik and E. Dagotto
National High Magnetic Field Laboratory, Florida State University, 1800 East Paul Dirac Drive, Tallahassee, Florida 32306

D. J. Scalapino
Department of Physics, University of California, Santa Barbara, California 93106

Received 18 February 1997; revised 30 May 1997; published in the issue dated 1 November 1997

We discuss the effects of nonmagnetic impurities (static holes) in the S=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=1/2 impurity moment in a two-leg ladder with isotropic couplings is 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=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. 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 (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.

© 1997 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.56.11701
DOI:
10.1103/PhysRevB.56.11701
PACS:
75.10.Jm, 75.40.Mg, 75.40.Cx, 75.10.Nr