Graphene-like two-dimensional ionic boron with double dirac cones at ambient condition

Ma, Fengxian, Jiao, Yalong, Gao, Guoping, Gu, YuanTong, Bilic, Ante, Chen, Zhongfang, & Du, Aijun (2016) Graphene-like two-dimensional ionic boron with double dirac cones at ambient condition. Nano Letters, 16(5), pp. 3022-3028.

View at publisher


Recently, partially ionic boron (γ-B28) has been predicted and observed in pure boron, in bulk phase and controlled by pressure [ Nature 2009, 457, 863]. By using ab initio evolutionary structure search, we report the prediction of ionic boron at a reduced dimension and ambient pressure, namely, the two-dimensional (2D) ionic boron. This 2D boron structure consists of graphene-like plane and B2 atom pairs with the P6/mmm space group and six atoms in the unit cell and has lower energy than the previously reported α-sheet structure and its analogues. Its dynamical and thermal stability are confirmed by the phonon-spectrum and ab initio molecular dynamics simulation. In addition, this phase exhibits double Dirac cones with massless Dirac Fermions due to the significant charge transfer between the graphene-like plane and B2 pair that enhances the energetic stability of the P6/mmm boron. A Fermi velocity (vf) as high as 2.3 × 106 m/s, which is even higher than that of graphene (0.82 × 106 m/s), is predicted for the P6/mmm boron. The present work is the first report of the 2D ionic boron at atmospheric pressure. The unique electronic structure renders the 2D ionic boron a promising 2D material for applications in nanoelectronics.

Impact and interest:

14 citations in Scopus
Search Google Scholar™
16 citations in Web of Science®

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

Full-text downloads:

2 since deposited on 03 May 2016
1 in the past twelve months

Full-text downloads displays the total number of times this work’s files (e.g., a PDF) have been downloaded from QUT ePrints as well as the number of downloads in the previous 365 days. The count includes downloads for all files if a work has more than one.

ID Code: 95300
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: 2D boron, Dirac cone, graphene analogous, density functional theory
DOI: 10.1021/acs.nanolett.5b05292
ISSN: 1530-6992
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2016 American Chemical Society
Deposited On: 03 May 2016 03:47
Last Modified: 04 May 2017 14:47

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page