Lattice deformation on flat-band modulation in 3D Hopf-linked carbon allotrope: Hopfene
arXiv:1907.03970 · doi:10.1063/1.5118967
Abstract
Flat bands form in a 3D Hopf-linked graphene crystal or a 3D carbon allotrope named Hopfene, which qualitatively differ from bands of only graphenes. This paper discusses carbon-hexagon deformation on the level shift of a flat band via density-functional-theoretical (DFT) analysis to set the flat-band level to the Fermi level, viz., to utilize its large density of states for magnetic- and electronic-property researches. Tight-binding (TB) analysis is also performed for a comparison with the DFT analysis; here, a qualitative agreement between TB and DFT bands is obtained. The DFT analysis shows an almost linear flat-band level shift to the lattice-deformation rate, where electron-interaction effects are included within the Kohn-Sham method. To tune the flat-band level so that it fits the Fermi level, a double-hetero-like structure is also proposed as a way of hexagon-deformation control.
arXiv comment4 pages, 3 figures
References in corpus (13)
- Electric Field Effect in Atomically Thin Carbon Films
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- The electronic properties of graphene
- Two-Dimensional Gas of Massless Dirac Fermions in Graphene
- The Raman Fingerprint of Graphene
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Superconductivity at 250 K in lanthanum hydride under high pressures
- Luttinger Liquid Behavior in Carbon Nanotubes
- Towards Three-Dimensional Weyl-SurfaceSemimetals in Graphene Networks
- Field-induced Kosterlitz-Thouless transition in the N=0 Landau level of graphene
- Pairing and superconductivity in the flat band: Creutz lattice
- Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene
- Quantum Hall effect in three-dimensional graphene