Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo3S7(dmit)3 crystals
Entity
UAM. Departamento de Física Teórica de la Materia Condensada; UAM. Instituto Universitario de Ciencia de Materiales Nicolás Cabrera (INC); UAM. Centro de Investigación en Fisica de la Materia Condensada (IFIMAC)Publisher
American Institute of Physics PublishingDate
2018-10-19Citation
10.1063/1.5041341
AIP Advances 8.10 (2018): 101430
ISSN
2158-3226DOI
10.1063/1.5041341Funded by
J. M. acknowledges financial support from (MAT2015-66128-R) MINECO/FEDER, UE, and A.R. from the French National Research Agency (Contract ORGANISO, ANR-15-CE09- 0017). Work at the University of Queensland was supported by the Australian Research Council (DP160100060)Project
Gobierno de España. MAT2015-66128-REditor's Version
https://doi.org/10.1063/1.5041341Subjects
Trinuclear organometallic crystals; Mo3S7(dmit)3; Spin molecular-orbital coupling (SMOC); XXZ+1200, S = 1; SMOC in Mo3S7(dmit)3; FísicaRights
© 2018 Author(s)Abstract
We explore the magnetic properties of isolated a - b planes of trinuclear organometallic
crystals, Mo3S7(dmit)3, in which an interplay of strong electronic correlations
and spin molecular-orbital coupling (SMOC) occurs. The magnetic properties can
be described by a XXZ+1200, S = 1 Heisenberg model on a honeycomb lattice with
single-spin anisotropy, D, which depends strongly on SMOC. Based on ab initio estimates
of SMOC in Mo3S7(dmit)3 crystals, we predict that the honeycomb layers of
Mo3S7(dmit)3 are N´eel ordered. However, in materials with a greater degree of magnetic
frustration, N´eel order can give way to a large-D phase
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Google Scholar:Merino Troncoso, Jaime
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Jacko, Anthony C.
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Kohsla, Amie L.
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Ralko, Arnaud
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Powell, Ben J.
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