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


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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.

About the authors

Yu. A. Kvashnina

Technological Institute for Superhard and Novel Carbon Materials; Moscow Institute of Physics and Technology

Author for correspondence.
Email: jakvashnina@gmail.com
Russian Federation, Troitsk, Moscow, 108840; Dolgoprudnyi, Moscow region, 141701

D. G. Kvashnin

National University of Science and Technology MISiS; Emanuel Institute of Biochemical Physics; Pirogov Russian National Research Medical University

Email: jakvashnina@gmail.com
Russian Federation, Moscow, 119049; Moscow, 119334; Moscow, 117997

A. G. Kvashnin

Moscow Institute of Physics and Technology; Skolkovo Institute of Science and Technology

Email: jakvashnina@gmail.com
Russian Federation, Dolgoprudnyi, Moscow region, 141701; Skolkovo, Moscow region, 143026

P. B. Sorokin

Technological Institute for Superhard and Novel Carbon Materials; National University of Science and Technology MISiS; Emanuel Institute of Biochemical Physics

Email: jakvashnina@gmail.com
Russian Federation, Troitsk, Moscow, 108840; Moscow, 119049; Moscow, 119334

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