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Spin fluctuations and orbital ordering in quasi-one-dimensional alpha-Cu(dca)(2)(pyz) {dca = dicyanamide = N(CN)(2)(-); pyz = pyrazine}, a molecular analogue of KCuF3

Abstract:

The magnetic properties of α-Cu(dca)2(pyz) were examined by magnetic susceptibility, magnetization, inelastic neutron scattering (INS), muon-spin relaxation (μSR) measurements and by first-principles density functional theoretical (DFT) calculations and quantum Monte Carlo (QMC) simulations. The χ versus T curve shows a broad maximum at 3.5 K, and the data between 2 and 300 K is well described by an S = 1/2 Heisenberg uniform chain model with g = 2.152(1) and J/kB = -5.4(1) K. μSR measurement...

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Publication status:
Published

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Publisher copy:
10.1016/j.poly.2009.06.063

Authors


Manson, JL More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics, REF-Physics
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics
Singleton, J More by this author
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Journal:
POLYHEDRON
Volume:
29
Issue:
1
Pages:
514-520
Publication date:
2010-01-13
DOI:
ISSN:
0277-5387
URN:
uuid:a2cad72e-8d8a-42ab-a2e9-d9d78534aa12
Source identifiers:
48939
Local pid:
pubs:48939

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