New allotropic forms of carbon based on С60 and С20 fullerenes with specific mechanical characteristics

Yu A. Kvashnina, D. G. Kvashnin, A. G. Kvashnin, P. B. Sorokin

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

New allotropic forms of carbon based on С60 and С20 fullerenes are considered. The most stable carbon compounds are found using an evolution algorithm, and their crystal structure (X-ray diffraction spectra) and electron (band structure) and mechanical (moduli of elasticity, hardness) characteristics are studied. The carbon phase with the tetragonal symmetry with mechanical properties close to those of a diamond crystal and having a narrow band gap is found.

Original languageEnglish
Pages (from-to)419-425
Number of pages7
JournalJETP Letters
Volume105
Issue number7
DOIs
Publication statusPublished - 1 Apr 2017

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