title: Electrostatic doping of graphene through ultrathin hexagonal boron nitride films.
abstract: When combined with graphene, hexagonal boron nitride (h-BN) is an ideal substrate and gate dielectric with which to build metal|h-BN|graphene field-effect devices. We use first-principles density functional theory (DFT) calculations for Cu|h-BN|graphene stacks to study how the graphene doping depends on the thickness of the h-BN layer and on a potential difference applied between Cu and graphene. We develop an analytical model that describes the doping very well, allowing us to identify the key parameters that govern the device behavior. A predicted intrinsic doping of graphene is particularly prominent for ultrathin h-BN layers and should be observable in experiment. It is dominated by novel interface terms that we evaluate from DFT calculations for the individual materials and for interfaces between h-BN and Cu or graphene.
authors.affiliation: Faculty of Science and Technology and MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands. m.bokdam@utwente.nl
authors.forename: Menno
authors.initials: M
authors.lastname: Bokdam
authors.forename: Petr A
authors.initials: PA
authors.lastname: Khomyakov
authors.forename: Geert
authors.initials: G
authors.lastname: Brocks
authors.forename: Zhicheng
authors.initials: Z
authors.lastname: Zhong
authors.forename: Paul J
authors.initials: PJ
authors.lastname: Kelly
mesh_terms: D001896:Boron Compounds / Q000737:chemistry*; D003198:Computer Simulation; D004574:Electromagnetic Fields; D006108:Graphite / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry; D008567:Membranes, Artificial; D008956:Models, Chemical; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D055672:Static Electricity; D013499:Surface Properties
chemical_list: D001896:Boron Compounds; D046911:Macromolecular Substances; D008567:Membranes, Artificial; C017282:boron nitride; D006108:Graphite