Stability and electronic structure of bilayer graphone

Authors

J. Zhou, Center for Applied Physics and Technology
Q. Wang, Virginia Commonwealth University
Q. Sun, Virginia Commonwealth University, Center for Applied Physics and TechnologyFollow
Puru Jena, Virginia Commonwealth UniversityFollow

Document Type

Article

Original Publication Date

2011

Journal/Book/Conference Title

Applied Physics Letters

Volume

98

Issue

6

DOI of Original Publication

10.1063/1.3555431

Comments

Originally published at http://dx.doi.org/10.1063/1.3555431

Date of Submission

April 2015

Abstract

Stability, reconstruction, and electronic structure of a bilayer graphone have been studied, where the most stable configuration undergoes a (1×2)surface reconstruction. An energy barrier of 1.83 eV separates this structure from the nonbonded state. The stability of the reconstructed bilayer at room temperature is confirmed by both frequency calculation and molecular dynamics simulation. Unlike the graphone sheet, the bilayer graphone is nonmagnetic but remains metallic due to the existence of delocalized π orbital on the zigzag sp2carbon chains, which are stable against Peierls instability. The metallicity is also stable under gate external electric field.

Rights

Zhou, J., Wang, Q., Sun, Q., et al. Stability and electronic structure of bilayer graphone. Applied Physics Letters, 98, 063108 (2011). Copyright © 2011 AIP Publishing LLC.

Is Part Of

VCU Physics Publications