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Эта публикация цитируется в 1 научной статье (всего в 1 статье)
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Optical properties of defective carbon nanotube (7,7)
S. A. Sozykin, V. P. Beskachko South Ural State University, Chelabinsk, Russia
Аннотация:
The current article presents the results of a study of the effect of single-walled carbon nanotubes carcass defects on their electronic structures and optical properties. The study was carried out using an ab-initio quantum mechanical approach: the pseudo-potential method in the density functional theory (DFT) framework in the local density approximation. It is shown that the defects of a single or double vacancy, and Stone-Wales change the absorption spectrum of nanotubes. This can be expressed in the appearance of absorption in the low-energy region and in the smearing of the absorption peaks corresponding to electron transitions between Van Hove singularities near the Fermi energy.
Ключевые слова:
carbon nanotube, density of states, band structure, adsorption.
Поступила в редакцию: 20.06.2017 Исправленный вариант: 22.10.2017
Образец цитирования:
S. A. Sozykin, V. P. Beskachko, “Optical properties of defective carbon nanotube (7,7)”, Наносистемы: физика, химия, математика, 9:1 (2018), 73–75
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/nano129 https://www.mathnet.ru/rus/nano/v9/i1/p73
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Страница аннотации: | 62 | PDF полного текста: | 19 |
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