Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395262 | Computational and Theoretical Chemistry | 2011 | 5 Pages |
Abstract
The extended Peierls-Hubbard Hamiltonian and local field method have been used for calculation of dielectric tensor, birefringence coefficient, and circular dichroism of crystal of single wall carbon nanotubes (SWCNTs) with caps at both ends. We have studied the position and value of peaks of the dielectric function with and without considering the spatial dispersion. With considering the spatial dispersion, the prominent peaks of É(2.56, κ) locate in the k < 1 eV region. Also, the behavior of É(2.56, κ) is similar to É(0, κ) for the k > 1 eV. The circular dichroism behavior is inversely proportional to behavior of birefringence coefficient, with considering the spatial dispersion. These results may provide new means to design some new types of magneto-optical materials.
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Chemistry
Physical and Theoretical Chemistry
Authors
M. Yaghobi, M. Yuonesi,