Crystalline structure and properties of diamond-like materials
Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 1, pp. 127-136
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Using density functional theory, the structures and properties of carbon diamond-like phases, all of whose atoms occupy equivalent crystallographic positions, were studied. Structures of these phases were obtained by linking or superposing ofcarbon clusters. It was found that thirteen such phases can exist. The calculated structural characteristics and properties (density, cohesive energy, bandgap, bulk modulus, hardness, and x-ray diffraction pattern) of the diamond-like phases under study differ significantly from respective parameters of cubic diamond.
Keywords:
Diamond crystal, diamond-like carbon, fullerenes, modeling.
@article{NANO_2017_8_1_a17,
author = {E. A. Belenkov and M. M. Brzhezinskaya and V. A. Greshnyakov},
title = {Crystalline structure and properties of diamond-like materials},
journal = {Nanosistemy: fizika, himi\^a, matematika},
pages = {127--136},
year = {2017},
volume = {8},
number = {1},
language = {en},
url = {http://geodesic.mathdoc.fr/item/NANO_2017_8_1_a17/}
}
TY - JOUR AU - E. A. Belenkov AU - M. M. Brzhezinskaya AU - V. A. Greshnyakov TI - Crystalline structure and properties of diamond-like materials JO - Nanosistemy: fizika, himiâ, matematika PY - 2017 SP - 127 EP - 136 VL - 8 IS - 1 UR - http://geodesic.mathdoc.fr/item/NANO_2017_8_1_a17/ LA - en ID - NANO_2017_8_1_a17 ER -
E. A. Belenkov; M. M. Brzhezinskaya; V. A. Greshnyakov. Crystalline structure and properties of diamond-like materials. Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 1, pp. 127-136. http://geodesic.mathdoc.fr/item/NANO_2017_8_1_a17/