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Article Dans Une Revue AIP Advances Année : 2018

Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo 3 S 7 (dmit) 3 crystals

Anthony C Jacko
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Amie L Khosla
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Arnaud Ralko
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Ben J Powell
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Résumé

We explore the magnetic properties of isolated a − b planes of trinuclear organometal-lic crystals, Mo 3 S 7 (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+120 0 , 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 Mo 3 S 7 (dmit) 3 crystals, we predict that the honeycomb layers of Mo 3 S 7 (dmit) 3 are Néel ordered. However, in materials with a greater degree of magnetic frustration, Néel order can give way to a large-D phase.

Dates et versions

hal-02000655 , version 1 (31-01-2019)

Identifiants

Citer

Jaime Merino, Anthony C Jacko, Amie L Khosla, Arnaud Ralko, Ben J Powell. Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo 3 S 7 (dmit) 3 crystals. AIP Advances, 2018, 8 (10), pp.101430. ⟨10.1063/1.5041341⟩. ⟨hal-02000655⟩

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