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Эта публикация цитируется в 6 научных статьях (всего в 6 статьях)
CHEMISTRY AND MATERIAL SCIENCE
Crystalline structure and properties of diamond-like materials
E. A. Belenkova, M. M. Brzhezinskayab, V. A. Greshnyakova a Chelyabinsk State University, Bratiev Kashirinykh, 129, Chelyabinsk, 454001, Russia
b Helmholtz-Zentrum Berlin füur Materialien und Energie, Albert-Einstein-Strasse, 15, Berlin, 12489, Germany
Аннотация:
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.
Ключевые слова:
Diamond crystal, diamond-like carbon, fullerenes, modeling.
Поступила в редакцию: 18.09.2016 Исправленный вариант: 21.11.2016
Образец цитирования:
E. A. Belenkov, M. M. Brzhezinskaya, V. A. Greshnyakov, “Crystalline structure and properties of diamond-like materials”, Наносистемы: физика, химия, математика, 8:1 (2017), 127–136
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/nano18 https://www.mathnet.ru/rus/nano/v8/i1/p127
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Страница аннотации: | 66 | PDF полного текста: | 32 |
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