Rectangular two-dimensional antiferromagnetic systems: Analysis of copper(II) pyrazine dibromide and dichloride |
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Authors: | Robert T Butcher Christopher P Landee Mark M Turnbull Fan Xiao |
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Institution: | 1. Carlson School of Chemistry and Biochemistry, Clark University, 950 Main Street, Worcester, MA 01610, USA;2. Department of Physics, Clark University, 950 Main Street, Worcester, MA 01610-1477, USA |
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Abstract: | The structure of copper pyrazine dibromide (or dichloride) consists of dihalide-bridged copper chains parallel to the c-axis with the copper sites linked in a perpendicular direction by bridging pyrazine molecules parallel to the b-axis. Superexchange interactions are propagated through both halides and pyrazine so the magnetic structure is a rectangular layer with two exchange strengths, J and J′ (J′ = αJ), where 0 < α < 1. The susceptibility of a rectangular antiferromagnetic Heisenberg lattice with S = 1/2 has been simulated using Quantum Monte Carlo techniques and the results compared to the experimental data. Best fits of the magnetic susceptibility data to the simulated data yield: for Cu(pz)Br2, α = 0.20(5), C = 0.430(1) emu K/mol, 2J = ?46(1) K, and 2J′ = ?9(2) K and for Cu(pz)Cl2, α = 0.30(5), C = 0.426(1) emu K/mol, 2J = ?28(1) K, and 2J′ = ?8(2)) K. The values are in good agreement with the literature and thus demonstrate the effectiveness of the technique for rectangular lattices. |
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