Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

Journal Article · Thu Aug 28 04:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4893750· OSTI ID:22314324

Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria ^[1]; Krukowski, Stanisław ^[1]

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1. Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland)

Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking.

• OSTI ID: 22314324
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 8 Vol. 116; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CLATHRATES
CONES
COVALENCE
DENSITY FUNCTIONAL METHOD
DEPOSITS
DISPERSION RELATIONS
GRAPHENE
HYDROGEN
LAYERS
PHOTOELECTRON SPECTROSCOPY
SILICON CARBIDES
SIMULATION
SUBSTRATES
SURFACES
TRIGONAL LATTICES