Semimetallic 2D Defective Graphene Networks with Periodic 4–8 Defect Lines
Gillen R, Maultzsch J (2025)
Publication Type: Journal article
Publication year: 2025
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Abstract
Theoretical simulations of the electronic properties of graphene-like 2D carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings are presented. These networks can be seen as arrays of armchair-edged nanoribbons (AGNRs), which are covalently connected at the edges. Using a combination of density functional theory and a simple tight binding model, it is shown that the electronic properties of these networks can be understood to arise from the family behavior of the constituting AGNRs, plus a rigid shift due to an “inter-ribbon” coupling across the defect lines. As a result, one class of zero-bandgap semiconducting 2D networks and two classes of semimetallic networks with quasilinear band close to the Fermi energy are found. The formation of closed-ring electron- and hole-like Fermi surfaces due to hybridization across the defect lines offers interesting perspectives of using such defective 2D networks for transport applications or the realization of carbon-based nodal-line semimetals.
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APA:
Gillen, R., & Maultzsch, J. (2025). Semimetallic 2D Defective Graphene Networks with Periodic 4–8 Defect Lines. physica status solidi (b). https://doi.org/10.1002/pssb.202500009
MLA:
Gillen, Roland, and Janina Maultzsch. "Semimetallic 2D Defective Graphene Networks with Periodic 4–8 Defect Lines." physica status solidi (b) (2025).
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