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Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of sp2 and sp3 C Atoms

Yasumaru Fujii, Mina Maruyama, Nguyen Thanh Cuong, and Susumu Okada
Phys. Rev. Lett. 125, 016001 – Published 30 June 2020; Retraction Phys. Rev. Lett. 125, 079901 (2020)
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Abstract

This article has been retracted: see Phys. Rev. Lett. 125, 079901 (2020)

A pentagonal covalent network consisting of sp2 and sp3 C atoms has been investigated based on the density functional theory. Our theoretical investigations clarified that the pentagonal covalent network is a metastable three-dimensional carbon allotrope with the Fm3¯m space group possessing remarkable mechanical properties: relatively high bulk modulus of 381 GPa together with a negative Poisson’s ratio of 0.241. Accordingly, the pentagonal covalent network possesses extremely high Young’s and shear moduli of 1691 and 1113 GPa, respectively, surpassing those of the diamond. The electronic structure of the pentagonal network is a semiconductor with an indirect band gap of 2.52 eV between L and X points for valence and conduction band edges, respectively, with the relatively small carrier masses.

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  • Received 25 February 2020
  • Revised 8 May 2020
  • Accepted 28 May 2020

DOI:https://doi.org/10.1103/PhysRevLett.125.016001

© 2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Erratum

Retraction: Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of sp2 and sp3 C Atoms [Phys. Rev. Lett. 125, 016001 (2020)]

Yasumaru Fujii, Mina Maruyama, Nguyen Thanh Cuong, and Susumu Okada
Phys. Rev. Lett. 125, 079901 (2020)

synopsis

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Building Novel Carbon Allotropes

Published 30 June 2020

Calculations indicate that a form of carbon synthesized from pentagonal hydrocarbon molecules could have unusual electrical and mechanical properties. (See Editor’s Note.)

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Authors & Affiliations

Yasumaru Fujii*, Mina Maruyama, Nguyen Thanh Cuong, and Susumu Okada§

  • Department of Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan

  • *yfujii@comas.frsc.tsukuba.ac.jp
  • mmaruyama@comas.frsc.tsukuba.ac.jp
  • ntcuong@comas.frsc.tsukuba.ac.jp
  • §sokada@comas.frsc.tsukuba.ac.jp

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Issue

Vol. 125, Iss. 1 — 3 July 2020

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