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NUMERICAL CALCULATION OF OPTICAL PROPERTIES FOR CNX AT LOW CONCENTRATION FOR DIFFERENT ZIGZAG CHIRALITIES
ELSA GABRIELA ORDOÑEZ CASANOVA
FRANCISCO ESPINOSA MAGAÑA
Acceso Abierto
Sin Derechos Reservados
ab initio
We have performed a comparative numerical study of optical properties between three cases of zig - zag [(6, 0), (8, 0) and (9, 0)] single wall carbon nanotubes (SWNT´s) doped with small amounts of nitrogen. The optical description was obtained using the magnitude of the static dielectric constant through the use of ab initio in the relaxed C-C bond length, long-wavelength limit, calculation. The parameters of the optical properties were compared and discussed for each zig - zag SWNT´s between the nitrogen doped and not doped cases. According to our calculation, the main result is that the optical properties have a tendency to maintain a change as a function of chirality increment and/or decrement of nitrogen concentration.
2014
Memoria de congreso
Inglés
OTRAS
Versión revisada
submittedVersion - Versión revisada
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