Topological band gap in intercalated epitaxial graphene

Kim, Minsung; Wang, Cai-Zhuang; Tringides, Michael C.; Hupalo, Myron; Ho, Kai-Ming

doi:10.1016/j.ssc.2023.115337

Topological band gap in intercalated epitaxial graphene

Journal Article · Wed Sep 13 00:00:00 EDT 2023 · Solid State Communications

DOI:https://doi.org/10.1016/j.ssc.2023.115337· OSTI ID:2006869

^[1]; Wang, Cai-Zhuang ^[2]; ^[2]; Hupalo, Myron ^[2]; Ho, Kai-Ming ^[2]

Ames Lab., and Iowa State Univ., Ames, IA (United States); Seoul National University of Science and Technology (SeoulTech) (Korea, Republic of)
Ames Lab., and Iowa State Univ., Ames, IA (United States)

The study of functional manipulation of graphene is a critical subject, both for fundamental research and practical applications. In this study, we present that the intercalation of 5d transition metals into epitaxial graphene on SiC is a promising strategy for the realization of topologically nontrivial phases with a finite band gap in graphene. Employing first-principles calculations, grounded in density functional theory, we demonstrate that Re- and Ta-intercalated graphene evolve into two-dimensional topological insulators. These exhibit linear Dirac cones and quadratic bands with topological band gaps, respectively. The emergence of these topological states is attributed to the strong spin–orbit coupling strength of the intercalants. We show that the corresponding topological edge states persist within the finite bulk band gap, aligning with the bulk-boundary correspondence. Furthermore, we explore the spin splitting of the band structure, brought about by the inversion symmetry breaking and the spin–orbit coupling. Finally, our study underscores that the intercalation of graphene is an effective and a feasible approach for manipulating the band gap and the topological nature of graphene. Such intercalated graphene systems hold potential utility for spintronics and low-dimensional quantum device applications.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-05CH11231; AC02-07CH11358

OSTI ID:: 2006869

Alternate ID(s):: OSTI ID: 2001332

Report Number(s):: IS-J--11,157

Journal Information:: Solid State Communications, Journal Name: Solid State Communications Vol. 373-374; ISSN 0038-1098

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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