In the pursuit of developing routes to enhance magnetic Kitaev interactions in α-RuCl3, as well as probing doping effects, we investigate the electronic properties of α-RuCl3 in proximity to graphene. We study α-RuCl3/graphene heterostructures via ab initio density functional theory calculations, Wannier projection and non-perturbative exact diagonalization methods. We show that α-RuCl3 becomes strained when placed on graphene and charge transfer occurs between the two layers, making α-RuCl3 (graphene) lightly electron-doped (hole-doped). This gives rise to an insulator to metal transition in α-RuCl3 with the Fermi energy located close to the bottom of the upper Hubbard band of the t2g manifold. These results suggest the possibility of realizing metallic and even exotic superconducting states. Moreover, we show that in the strained α-RuCl3 monolayer the Kitaev interactions are enhanced by more than 50% compared to the unstrained bulk structure. Finally, we discuss scenarios related to transport experiments in α-RuCl3/graphene heterostructures. arXiv:1908.04793v2 [cond-mat.str-el]
The honeycomb Mott insulator α-RuCl3 loses its low-temperature magnetic order by pressure. We report clear evidence for a dimerized structure at P > 1 GPa and observe the breakdown of the relativistic j eff picture in this regime strongly affecting the electronic properties. A pressure-induced Kitaev quantum spin liquid cannot occur in this broken symmetry state. We shed light on the new phase by broad-band infrared spectroscopy of the low-temperature properties of α-RuCl3 and ab initio density functional theory calculations, both under hydrostatic pressure.
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