Ames Laboratory; Physics and Astronomy
Ames Laboratory, Physics and Astronomy
The Journal of Physical Chemistry C
We systematically study the effects of Gd adsorption and intercalation on the electronic band structure of double-layer epitaxial graphene on Si-terminated SiC(0001) by first-principles calculations. We show that Gd adsorption and intercalation exhibit strong effects on the coupling between the graphene layers and between the buffer layer and substrate. Different adsorption/intercalation geometries can result in very different electron band structures. The number of Dirac cones and the positions of the Dirac cones relative to the Fermi level can be effectively manipulated through controlling the Gd adsorption/intercalation geometries. Our calculations provide useful insights to guide the experimental design of graphene-based materials with desirable functionalities for applications.
DOE Contract Number(s)
Iowa State University Digital Repository, Ames IA (United States)
Available for download on Wednesday, December 15, 2021