The static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes

Lasse Jensen, Per Olof Åstrand, Kurt V. Mikkelsen

Research output: Contribution to journalArticle

47 Scopus citations

Abstract

Utilizing a point-dipole interaction model, we present an investigation of the static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes by varying their structure. The following effects are investigated: (1) the length dependence of the components of the static polarizability, (2) the static second hyperpolarizabilities of C 60 and C 70, (3) the symmetry effects on the static second hyperpolarizability, (4) the length dependence of the components of the static second hyperpolarizability, and (5) the diameter dependence of the static second hyperpolarizability. It is demonstrated that the carbon nanotubes exhibit significantly larger second hyperpolarizabilities compared to a fullerene containing the same number of carbon atoms. Furthermore, the calculations show that the carbon nanotubes have a much larger directionality of the static second hyperpolarizability than the fullerenes.

Original languageEnglish (US)
Pages (from-to)8795-8800
Number of pages6
JournalJournal of Physical Chemistry A
Volume108
Issue number41
DOIs
StatePublished - Oct 14 2004

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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