Geodesic
Optical properties of defective carbon nanotube (7,7)
Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 73-75.

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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.
Keywords: density of states, band structure
Mots-clés : carbon nanotube, adsorption. 
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     author = {S. A. Sozykin and V. P. Beskachko},
     title = {Optical properties of defective carbon nanotube (7,7)},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {73--75},
     publisher = {mathdoc},
     volume = {9},
     number = {1},
     year = {2018},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a17/}
}
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S. A. Sozykin; V. P. Beskachko. Optical properties of defective carbon nanotube (7,7). Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 73-75. http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a17/