The University of Southampton
University of Southampton Institutional Repository

Topological carbon allotropes: knotted molecules, carbon-nano-chain, chainmails, and Hopfene

Topological carbon allotropes: knotted molecules, carbon-nano-chain, chainmails, and Hopfene
Topological carbon allotropes: knotted molecules, carbon-nano-chain, chainmails, and Hopfene
Carbon allotropes such as diamond, nano-tube, Fullerene, and Graphene were discovered and revolutionised material sciences. These structures have unique translational and rotational symmetries, described by a crystallographic group theory, and the atoms are arranged at specific rigid positions in 3-dimensional (D) space. Regardless of these exotic molecular structures, the structures of materials are topologically trivial in a mathematical sense, that their bonds are connected without a link nor a knot. These days, the progress on the synthetic chemistry is significant to make various topologically non-trivial molecular structures. Topological molecules (0D) including Trefoil knots, a Hopf-link, a Möbius strip, and Borromean rings, were already realised. However, their potentially exotic electronic properties have not been sufficiently explored. Here, we propose a new 3D carbon allotrope, named Hopfene, which has periodic arrays of Hopf-links to knit horizontal Graphene sheets into vertical ones without connecting by s bonds. We conducted an ab initio band structure calculation using a Density-Functional-Theory (DFT) for Hopfene, and found that it is well-described by a tight-binding model. We confirmed the original Dirac points of 2D Graphene were topologically protected upon the introduction of the Hopf links, and low-energy excitations are described by 1D, 2D, and 3D gapless Fermions.
Hopfene, carbon allotrope, dirac fermion, topological material
Saito, Shinichi
14a5d20b-055e-4f48-9dda-267e88bd3fdc
Tomita, Isao
e4a78ed2-f525-4fb0-9711-86e2b2dd5587
Saito, Shinichi
14a5d20b-055e-4f48-9dda-267e88bd3fdc
Tomita, Isao
e4a78ed2-f525-4fb0-9711-86e2b2dd5587

Saito, Shinichi and Tomita, Isao (2020) Topological carbon allotropes: knotted molecules, carbon-nano-chain, chainmails, and Hopfene. Materials Research Express, 7 (5), [056301]. (doi:10.1088/2053-1591/ab8df3).

Record type: Article

Abstract

Carbon allotropes such as diamond, nano-tube, Fullerene, and Graphene were discovered and revolutionised material sciences. These structures have unique translational and rotational symmetries, described by a crystallographic group theory, and the atoms are arranged at specific rigid positions in 3-dimensional (D) space. Regardless of these exotic molecular structures, the structures of materials are topologically trivial in a mathematical sense, that their bonds are connected without a link nor a knot. These days, the progress on the synthetic chemistry is significant to make various topologically non-trivial molecular structures. Topological molecules (0D) including Trefoil knots, a Hopf-link, a Möbius strip, and Borromean rings, were already realised. However, their potentially exotic electronic properties have not been sufficiently explored. Here, we propose a new 3D carbon allotrope, named Hopfene, which has periodic arrays of Hopf-links to knit horizontal Graphene sheets into vertical ones without connecting by s bonds. We conducted an ab initio band structure calculation using a Density-Functional-Theory (DFT) for Hopfene, and found that it is well-described by a tight-binding model. We confirmed the original Dirac points of 2D Graphene were topologically protected upon the introduction of the Hopf links, and low-energy excitations are described by 1D, 2D, and 3D gapless Fermions.

Text
Hopfene_v1 - Author's Original
Restricted to Registered users only
Available under License Creative Commons Attribution.
Download (35MB)
Request a copy
Text
Hopfene MRX rev2 - Accepted Manuscript
Restricted to Repository staff only until 30 June 2021.
Available under License Creative Commons Attribution.
Request a copy
Text
Saito_2020_Mater._Res._Express_7_056301 - Version of Record
Available under License Creative Commons Attribution.
Download (4MB)
Text
Hopfene_MRX_rev1
Restricted to Repository staff only
Request a copy
Text
Hopfene MRX rev2 SI Supplementary figures
Restricted to Repository staff only
Available under License Creative Commons Attribution.
Request a copy

Show all 5 downloads.

More information

In preparation date: 12 April 2019
Accepted/In Press date: 28 April 2020
e-pub ahead of print date: 11 May 2020
Published date: May 2020
Keywords: Hopfene, carbon allotrope, dirac fermion, topological material

Identifiers

Local EPrints ID: 439558
URI: http://eprints.soton.ac.uk/id/eprint/439558
PURE UUID: c4955a9a-8fcd-4dd8-ac67-f81a9f2a6dc3
ORCID for Shinichi Saito: ORCID iD orcid.org/0000-0003-1539-1182

Catalogue record

Date deposited: 27 Apr 2020 16:30
Last modified: 08 Oct 2020 16:35

Export record

Altmetrics

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×