Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo3S7(dmit)3 crystals

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+120, 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 Neel ordered. However, in materials with a greater degree of magnetic frustration, Neel order can give way to the large-D phase.

arXiv comment4 pages, 4 figures, Conference proceedings of International Conference on Magnetism 2018

References in corpus (8)

• Anyons in an exactly solved model and beyond
• Mott physics and band topology in materials with strong spin-orbit interaction
• Role of quantum fluctuations on spin liquids and ordered phases in the Heisenberg model on the honeycomb lattice
• Spin-orbit coupling and strong electronic correlations in cyclic molecules
• Emergence of quasi-one-dimensional physics in Mo${}_3$S${}_7$(dmit)${}_3$, a nearly-isotropic three-dimensional molecular crystal
• Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in tri-nuclear organometallic clusters
• Spin-orbit coupling in {Mo${}_3$S${}_7$(dmit)${}_3$}
• Effects of anisotropy in spin molecular-orbital coupling on effective spin models of trinuclear organometallic complexes

Cited by in corpus (2)

• Spin-$0$ Mott insulator to metal to spin-$1$ Mott insulator transition in the single-orbital Hubbard model on the decorated honeycomb lattice
• Multiple insulating phases due to the interplay of strong correlations and lattice geometry in a single-orbital Hubbard model