A carbon allotrope with twisted Dirac cones induced by grain boundaries composed of pentagons and octagons.
Phys Chem Chem Phys
; 25(5): 4230-4235, 2023 Feb 01.
Article
em En
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| ID: mdl-36661111
ABSTRACT
The grain boundaries (GBs) composed of pentagons and octagons (558 GBs) have been demonstrated to induce attractive transport properties such as Van Hove singularity (VHS) and quasi-one-dimensional metallic wires. Here, we propose a monolayer carbon allotrope which is formed from the introduction of periodic 558 GBs to decorate intact graphene, termed as PHO-graphene. The calculated electronic properties indicate that PHO-graphene not only inherits the previously superior characteristics such as Van Hove singularity and quasi-one-dimensional metallic wires, but also possesses two twisted Dirac cones near the Fermi level. Further calculation finds that the Berry phase is quantized to ± π at the two Dirac points, which is consistent with the distribution of the corresponding Berry curvature. The parity argument uncovers that PHO-graphene hosts a nontrivial band topology and the edge states connecting the two Dirac points are clearly visible. Our findings not only provide a reliable avenue to realize the abundant and extraordinary properties of carbon allotropes, but also offer an attractive approach for designing all carbon-based devices.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2023
Tipo de documento:
Article