Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms

Daniel Malko, Christian Neiss, and Andreas Görling
Phys. Rev. B 86, 045443 – Published 26 July 2012

Abstract

Two graphynes, 6(H2),14,18 graphyne and 6BN,6,12 graphyne, that contain the heteroatoms hydrogen or boron and nitrogen, respectively, are shown to feature Dirac points in their band structure according to first-principles electronic structure calculations. This shows that the existence of Dirac points in the band structure of two-dimensional materials is neither restricted to graphene nor to other two-dimensional all-carbon materials. 6(H2),14,18 graphyne and 6BN,6,12 graphyne belong to the rectangular two-dimensional space groups pmm and pm, respectively, and thus exhibit completely different symmetries than graphene. 6BN,6,12 graphyne features a Dirac cone with a band gap originating from an avoided crossing of its valence and conduction band at the Dirac point due to missing reflection symmetry. The examples of 6(H2),14,18 graphyne and 6BN,6,12 graphyne suggest that a wealth of two-dimensional materials with various chemical compositions and with electronic properties equally amazing as those of graphene is awaiting discovery.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 23 February 2012

DOI:https://doi.org/10.1103/PhysRevB.86.045443

©2012 American Physical Society

Authors & Affiliations

Daniel Malko, Christian Neiss, and Andreas Görling

  • Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg and Interdisciplinary Center of Molecular Materials, Egerlandstr. 3, D-91058 Erlangen, Germany

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 86, Iss. 4 — 15 July 2012

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×