Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

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This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface.

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5 p.

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Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco July 27, 2011.

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This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface.

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5 p.

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Copyright 2011 American Physical Society. The following article appeared in Physical Review B, 84:3, http://link.aps.org/doi/10.1103/PhysRevB.84.035442

Abstract: Using calculations from first principles, we show how the structural and electronic properties of epitaxial graphene on 6H-SiC(0001̅) are determined by the geometry and the chemical functionalization of the interface region. We also demonstrate that these properties can be correctly captured only if a proper treatment of the van der Waals interactions is included in the theoretical description based on density functional theory. Our results reproduce the experimentally observed n-type doping of monolayer epitaxial graphene and prove the possibility of opening a sizable (150 meV) energy gap in the bilayer case under special growth conditions. Depending on the details of the bonding at the interface, the authors are able to interpret recent experimental observations and provide a clear insight into the mechanisms of charge transfer and interface stability.

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  • Physical Review B, 2011, College Park: American Physical Society

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  • Publication Title: Physical Review B
  • Volume: 84
  • Issue: 3
  • Pages: 5
  • Peer Reviewed: Yes

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  • July 27, 2011

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  • Feb. 1, 2013, 9:58 a.m.

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  • March 27, 2014, 4:30 p.m.

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Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco. Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study, article, July 27, 2011; [College Park, Maryland]. (digital.library.unt.edu/ark:/67531/metadc139475/: accessed June 29, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.