Phys. Rev. B 56, 11701–11709 (1997)Nonmagnetic impurities in spin-gapped and gapless Heisenberg antiferromagnetsReceived 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
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