Abstract
A pentagonal covalent network consisting of and 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 space group possessing remarkable mechanical properties: relatively high bulk modulus of 381 GPa together with a negative Poisson’s ratio of . 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 and points for valence and conduction band edges, respectively, with the relatively small carrier masses.
- 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)
Erratum
Retraction: Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of and 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
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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