Malko D, Neiß C, Görling A (2012)
Publication Type: Journal article, Original article
Publication year: 2012
Original Authors: Malko D., Neiss C., Görling A.
Publisher: American Physical Society
Book Volume: 86
Pages Range: -
Journal Issue: 4
DOI: 10.1103/PhysRevB.86.045443
Two graphynes, 6(H ),14,18 graphyne and 6 ,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(H ),14,18 graphyne and 6 ,6,12 graphyne belong to the rectangular two-dimensional space groups pmm and pm, respectively, and thus exhibit completely different symmetries than graphene. 6 ,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(H ),14,18 graphyne and 6 ,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. © 2012 American Physical Society.
APA:
Malko, D., Neiß, C., & Görling, A. (2012). Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms. Physical Review B, 86(4), -. https://doi.org/10.1103/PhysRevB.86.045443
MLA:
Malko, Daniel, Christian Neiß, and Andreas Görling. "Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms." Physical Review B 86.4 (2012): -.
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