Susceptibility of the 2D S=1/2 Heisenberg antiferromagnet with an impurity

We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a log-divergent contribution to the transverse susceptibility. We also introduce an effective few-spin model that can quantitatively capture the differences between magnetic and nonmagnetic impurities at high and intermediate temperatures.Comment: 5 pages, 4 figures, v2: Updated data in figures, minor changes in text, v3: Final version, cosmetic change

Impurity effects at finite temperature in the two-dimensional S=1/2 Heisenberg antiferromagnet

We discuss effects of various impurities on the magnetic susceptibility and the specific heat of the quantum S=1/2 Heisenberg antiferromagnet on a two-dimensional square lattice. For impurities with spin S_i > 0 (here S_i=1/2 in the case of a vacancy or an added spin, and S_i=1 for a spin coupled ferromagnetically to its neighbors), our quantum Monte Carlo simulations confirm a classical-like Curie susceptibility contribution S_i^2/4T, which originates from an alignment of the impurity spin with the local N\'eel order. In addition, we find a logarithmically divergent contribution, which we attribute to fluctuations transverse to the local N\'eel vector. We also study frustrated and nonfrustrated bond impurities with S_i=0. For a simple intuitive picture of the impurity problem, we discuss an effective few-spin model that can distinguish between the different impurities and reproduces the leading-order simulation data over a wide temperature range.Comment: 15 pages, 14 figures, submitted to PRB. v2, published version with cosmetic change

Accessing the dynamics of large many-particle systems using Stochastic Series Expansion

The Stochastic Series Expansion method (SSE) is a Quantum Monte Carlo (QMC) technique working directly in the imaginary time continuum and thus avoiding "Trotter discretization" errors. Using a non-local "operator-loop update" it allows treating large quantum mechanical systems of many thousand sites. In this paper we first give a comprehensive review on SSE and present benchmark calculations of SSE's scaling behavior with system size and inverse temperature, and compare it to the loop algorithm, whose scaling is known to be one of the best of all QMC methods. Finally we introduce a new and efficient algorithm to measure Green's functions and thus dynamical properties within SSE.Comment: 11 RevTeX pages including 7 figures and 5 table