Semimetallic two-dimensional defective graphene networks with periodic 4-8 defect lines
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866917982675927040 |
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| author | Gillen, Roland Maultzsch, Janina |
| author_facet | Gillen, Roland Maultzsch, Janina |
| contents | We present theoretical simulations of the electronic properties of graphene-like two-dimensional (2D) carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings. 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, we show that the electronic properties of these networks can be understood to arise from the family behaviour of the constituting AGNRs, plus a rigid shift due to an 'inter-ribbon' coupling across the defect lines. As a result, we find one class of zero-band-gap semiconducting 2D networks, and two classes of semimetallic networks with quasi-linear band close to the Fermi energy. 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2504_08699 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Semimetallic two-dimensional defective graphene networks with periodic 4-8 defect lines Gillen, Roland Maultzsch, Janina Mesoscale and Nanoscale Physics We present theoretical simulations of the electronic properties of graphene-like two-dimensional (2D) carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings. 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, we show that the electronic properties of these networks can be understood to arise from the family behaviour of the constituting AGNRs, plus a rigid shift due to an 'inter-ribbon' coupling across the defect lines. As a result, we find one class of zero-band-gap semiconducting 2D networks, and two classes of semimetallic networks with quasi-linear band close to the Fermi energy. 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. |
| title | Semimetallic two-dimensional defective graphene networks with periodic 4-8 defect lines |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2504.08699 |