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Author: raul A Vazquez-Nava
Requested Type: Poster
Submitted: 2015-03-11 11:58:13

Co-authors: R. V. Salazar-Aparicio, G. H. Cocoletzi

Contact Info:
Centro de investigaciones en Optica
Loma del Bosque 115
Leon, Guanajuato   37150

Abstract Text:
We present ab initio calculations to investigate the second harmonic generation (SHG) response
of single wall zigzag nanotubes. Studies have been performed using the
density functional theory (DFT) within the local-density approximation (LDA) together with the
GW Green function method to determine the band gap. A length gauge approach has been used
to calculate the nonlinear optical response with the scissors correction to obtain the nonlinear
susceptibility of the zigzag nanotubes. Our results show that, contrary to reports in
the literature, the (5,0) and (9,0) nanotubes display non vanishing SHG response.