Electronic properties of graphyne-$N$ monolayer and its multilayer: even-odd effect and topological nodal line semimetalic phases

Abstract

We study the electronic structure and topological properties of monolayer and ABC-stacked multilayer of graphyne-$N$, which are a family of planar carbon sheets consisting of $sp$ and $s{p}_2$-bonding. By using the density-functional theory and the effective continuum model, we find a striking even-odd effect in the dependence of the band structure on $N$ (the number of carbon-carbon triple bonds between neighboring benzene rings). Specifically, even-$N$ graphyne monolayer has doubly-degenerate conduction and valence bands near the Fermi energy, and in its ABC multilayer, the band inversion of the doubly-degenerate bands leads to a nodal-line semimetal phase with non-trivial ${\mathbb{Z}}_2$ monopole charge. In contrast, odd-$N$ monolayer has singly-degenerate bands in separate valleys, and its ABC multilayer can have only ${\mathbb{Z}}_2$-trivial nodal lines. ABC graphynes with larger $N$ tend to be trivial insulators because of smaller interlayer coupling, while the external pressure induces a topological phase transition from the trivial phase to the nodal line semimetal phase.

16 pages, 13 figures, 4 tables

References in corpus (17)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• The electronic properties of graphene
• Topological Insulators with Inversion Symmetry
• Scheme to Achieve Silicon Topological Photonics
• Topological Node-Line Semimetal in Three Dimensional Graphene Networks
• Topological nodal line semimetals
• Line of Dirac Nodes in Hyper-Honeycomb Lattices
• Topological Nodal Line Semimetals in CaP3 family of materials
• Topological Hopf and chain link semimetal states and their application to Co2MnGa (Theory and Materials Prediction)
• Graphene under hydrostatic pressure
• Band structure and topological property of twisted double bilayer graphenes
• Unexpected Dirac-Node Arc in the Topological Line-Node Semimetal HfSiS
• Observation of Dirac-like energy band and ring-torus Fermi surface associated with the nodal line in topological insulator CaAgAs
• Surface States of Perovskite Iridates AIrO${}_3$; Signatures of Topological Crystalline Metal with Nontrivial ${\mathbb{Z}}_2$ Index
• Evidence for bulk nodal loops and universality of Dirac-node arc surface states in ZrGeXc (Xc = S, Se, Te)
• Topological junction states and their crystalline network in chiral-symmetric systems: application to graphene nanoribbons
• Spin and charge transport in topological nodal-line semimetals

Cited by in corpus (1)

• Electronic states at twist stacking faults in rhombohedral graphite