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Effective Quantum Graph Models of Some Nonequilateral Graphyne Materials
- Source :
- C, Vol 9, Iss 3, p 76 (2023)
- Publication Year :
- 2023
- Publisher :
- MDPI AG, 2023.
-
Abstract
- It is shown that it is possible to adapt the quantum graph model of graphene to some types of nonequilateral graphynes considered in the literature; we also discuss the corresponding nanotubes. The proposed models are, in fact, effective models and are obtained through selected boundary conditions and an ad hoc prescription. We analytically recover some results from the literature, in particular, the presence of Dirac cones for α-, β- and (6,6,12)-graphynes; for γ-graphyne, our model presents a band gap (according to the literature), but only for a range of parameters, with a transition at a certain point with quadratic touch and then the presence of Dirac cones.
- Subjects :
- graphyne
graphyne nanotube
quantum graph
Dirac cone
Organic chemistry
QD241-441
Subjects
Details
- Language :
- English
- ISSN :
- 23115629
- Volume :
- 9
- Issue :
- 3
- Database :
- Directory of Open Access Journals
- Journal :
- C
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.0bf5b9ea5f3a4777ba2fbf6706f4de66
- Document Type :
- article
- Full Text :
- https://doi.org/10.3390/c9030076