Band Gap Control in Bilayer Graphene by Co-Doping with B-N Pairs

Maha H. Alattas, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

The electronic band structure of bilayer graphene is studied systematically in the presence of substitutional B and/or N doping, using density functional theory with van der Waals correction. We show that introduction of B-N pairs into bilayer graphene can be used to create a substantial band gap, stable against thermal fluctuations at room temperature, but otherwise leaves the electronic band structure in the vicinity of the Fermi energy largely unaffected. Introduction of B-N pairs into B and/or N doped bilayer graphene likewise hardly modifies the band dispersions. In semiconducting systems (same amount of B and N dopants), however, the size of the band gap is effectively tuned in the presence of B-N pairs.
Original languageEnglish (US)
JournalScientific Reports
Volume8
Issue number1
DOIs
StatePublished - Dec 6 2018

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).

Fingerprint

Dive into the research topics of 'Band Gap Control in Bilayer Graphene by Co-Doping with B-N Pairs'. Together they form a unique fingerprint.

Cite this