Zayedene: Carbon sp chains in diamond nanocavities

  1. Francesco Delodovici ORCID Logo,
  2. Daniel S. Choi,
  3. Mohamed Al Fahim,
  4. Larry A. Burchfield and
  5. Nicola Manini ORCID Logo

Submitting author affiliation: Dipartimento di fisica, Università degli studi di Milano, via Celoria 16, 20133, Milano, Italy, Milano, Italy

Beilstein Arch. 2019, 201967. doi:10.3762/bxiv.2019.67.v1

Published 11 Jul 2019

  • Preprint

Abstract

We propose a new class of carbon allotropes obtained by combining linear sp carbon chains with sp3 bulk carbon.The structure of these crystalline carbon allotropes consists of sp chains inserted in cylindrical cavities periodically arranged in hexagonal diamond (lonsdaleite).We carry out a detailed computational analysis of the structural, electronic, and vibrational properties of a simple form in this class: a single C6 strand embedded in a nm-sized cavity.We obtain a metallic allotrope exhibiting characteristic high-frequency vibrations associated with the sp chains stretching modes, and characterized by long-time room-temperature stability.In addition, we suggest how numerous similar allotropes could be constructed within this class, that we call zayedene, all characterized by comparable metallicity and high-frequency vibrations.

Keywords: carbon allotropes; hexagonal diamond; nanocavities; nanotechnologies; sp-chains

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When a peer-reviewed version of this preprint is available in the Beilstein Journals, this information will be updated in the information box above. If no peer-reviewed version is available, please cite this preprint using the following information:

Delodovici, F.; Choi, D. S.; Al Fahim, M.; Burchfield, L. A.; Manini, N. Beilstein Arch. 2019, 201967. doi:10.3762/bxiv.2019.67.v1

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