Electronic properties of alpha-RuCl3 in proximity to graphene
File(s)
Accepted version
Author(s)
Biswas, Sananda
Li, Ying
Winter, Stephen M
Knolle, Johannes
Valenti, Roser
Type
Journal Article
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
2
g
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.
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
2
g
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.
Date Issued
2019-12-02
Date Acceptance
2019-12-01
Citation
Physical Review Letters, 2019, 123 (23), pp.237201-1-237201-6
ISSN
0031-9007
Publisher
American Physical Society
Start Page
237201-1
End Page
237201-6
Journal / Book Title
Physical Review Letters
Volume
123
Issue
23
Copyright Statement
© 2019 American Physical Society
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000499991300011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Physics, Multidisciplinary
Physics
SYSTEMS
PHYSICS
Publication Status
Published
Article Number
ARTN 237201
Date Publish Online
2019-12-02