Magnetic anisotropy energies and metal-insulator transitions in monolayers of $\alpha$-RuCl${}_3$ and OsCl${}_3$ on graphene

Abstract

Transition metal thriclorides, with $4d$ or $5d$ electrons, are materials at the forefront of recent studies about the interplay of spin-orbit coupling and strong Coulomb interactions. Within our first-principles calculations (DFT+$U$+SOC) we study the effects of graphene on the electronic and magnetic properties of the monolayers of $\alpha$-RuCl${}_3$ and OsCl${}_3$. Despite the spatially inhomogeneous $n$-type doping induced by graphene, we show that the occupancy of the upper Hubbard bands of MLs of \rucl and OsCl${}_3$ can be tuned through external electric fields, and allows the control of (i) metal-insulator transitions, and (ii) the magnetic easy-axis and anisotropy energies. Our findings point towards the tunning of electronic and magnetic properties of transition metal thriclorides monolayers by using graphene and external electronic fields.

arXiv comment10 pages and 8 figures

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Cited by in corpus (5)

• Magnetic States of Graphene Proximitized Kitaev Materials
• Insulator-to-metal Mott transition facilitated by lattice deformation in monolayer $\alpha$-RuCl${}_3$ on graphite
• Giant anisotropic magnetoresistance in few-layer α-RuCl3 tunnel junctions
• Possible Realization of Kitaev Spin Liquids in van der Waals Heterostructures of $\alpha$-RuCl${}_3$ and Cr$X_3$ ($X$=Cl and I)
• Computational exploration of a viable route to Kitaev-quantum spin liquid phase in OsCl${}_3$