Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation

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

doi:10.1021/acs.jpcc.0c09090

Title: Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation

Journal Article · Tue Dec 15 00:00:00 EST 2020 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.0c09090· OSTI ID:1756048

Kim, Minsung ^[1]; Hupalo, Myron ^[1];

^[1]; Schrunk, Ben ^[1]; Kaminski, Adam ^[1]; Ho, Kai-Ming ^[1];

^[1]

Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

In this work, 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.

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Research Organization:: Ames Lab., Ames, IA (United States)

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

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1756048

Report Number(s):: IS-J-10,375

Journal Information:: Journal of Physical Chemistry. C, Vol. 124, Issue 51; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Band structure
Adsorption
Layers
Two dimensional materials
Intercalation

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