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Charge neutrality in epitaxial graphene on 6H-SiC(0001) via nitrogen intercalation
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-5571-0814
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. NUST MISIS, Russia; Tomsk State University, Russia.
2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 8, 081409Article in journal (Refereed) Published
Abstract [en]

The electronic properties of epitaxial graphene grown on SiC(0001) are known to be impaired relative to those of freestanding graphene. This is due to the formation of a carbon buffer layer between the graphene layers and the substrate, which causes the graphene layers to become strongly n-doped. Charge neutrality can be achieved by completely passivating the dangling bonds of the clean SiC surface using atomic intercalation. So far, only one element, hydrogen, has been identified as a promising candidate. We show, using first-principles density functional calculations, how it can also be accomplished via the growth of a thin layer of silicon nitride on the SiC surface. The subsequently grown graphene layers display the electronic properties associated with charge neutral graphene. We show that the surface energy of this structure is considerably lower than that of others with intercalated atomic nitrogen and determine how its stability depends on the N-2 chemical potential.

Place, publisher, year, edition, pages
American Physical Society , 2015. Vol. 92, no 8, 081409
National Category
Condensed Matter Physics Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-121104DOI: 10.1103/PhysRevB.92.081409ISI: 000359861600002OAI: oai:DiVA.org:liu-121104DiVA: diva2:851813
Note

Funding Agencies|European Union [604391]; Swedish Research Council (VR) [621-2011-4426]; Swedish Foundation for Strategic Research (SSF) program SRL Grant [10-0026]; VR Grant [621-2011-4249]; Linnaeus Environment at Linkoping on Nanoscale Functional Materials (LiLi-NFM) - VR; Grant of Ministry of Education and Science of the Russian Federation [14.Y26.31.0005]; Tomsk State University Academic D. I. Mendeleev Fund Program [8.1.18.2015]

Available from: 2015-09-07 Created: 2015-09-07 Last updated: 2017-12-04

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