Systematic tight-binding study of optical second-harmonic generation in carbon nanotubes

作者：Pedersen Thomas G^*; Pedersen Kjeld

来源：Physical Review B, 2009, 79(3): 035422.

DOI：10.1103/PhysRevB.79.035422

• carbon nanotubes
• chirality
• optical harmonic generation
• semiconductor nanotubes
• tight-binding calculations

Second-harmonic generation spectra for a wide range of carbon nanotubes are computed within a nonorthogonal tight-binding approach. It is demonstrated that a broken pi-pi(*) symmetry is a prerequisite for a nonvanishing nonlinear response. We study the diameter and chirality dependences of the response and find that optimal values exist for both parameters. Hence, for semiconducting nanotubes the largest response is obtained for diameters around 15 A. For metallic structures, second-harmonic generation is weak in general.

• 出版日期2009-1