New allotropic forms of carbon based on D-60 and D-20 fullerenes with specific mechanical characteristics
YA Kvashnina and DG Kvashnin and AG Kvashnin and PB Sorokin, JETP LETTERS, 105, 419-425 (2017).
New allotropic forms of carbon based on D-60 and D-20 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.
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