| Literature DB >> 31868493 |
Sananda Biswas1, Ying Li1,2, Stephen M Winter1, Johannes Knolle3,4,5, Roser Valentí1.
Abstract
In the pursuit of developing routes to enhance magnetic Kitaev interactions in α-RuCl_{3}, as well as probing doping effects, we investigate the electronic properties of α-RuCl_{3} in proximity to graphene. We study α-RuCl_{3}/graphene heterostructures via ab initio density functional theory calculations, Wannier projection, and nonperturbative exact diagonalization methods. We show that α-RuCl_{3} becomes strained when placed on graphene and charge transfer occurs between the two layers, making α-RuCl_{3} (graphene) lightly electron doped (hole doped). This gives rise to an insulator-to-metal transition in α-RuCl_{3} with the Fermi energy located close to the bottom of the upper Hubbard band of the t_{2g} manifold. These results suggest the possibility of realizing metallic and even exotic superconducting states. Moreover, we show that in the strained α-RuCl_{3} 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-RuCl_{3}/graphene heterostructures.Entities:
Year: 2019 PMID: 31868493 DOI: 10.1103/PhysRevLett.123.237201
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161