Optical absorption in molybdenum disulfide nanotubes

I. Milošević; G. Seifert; I. Popov; E. Dobardžić; B. Nikolić; M. Damnjanović

doi:10.1117/12.679845

8 September 2006 Optical absorption in molybdenum disulfide nanotubes

I. Milošević, G. Seifert, I. Popov, E. Dobardžić, B. Nikolić, M. Damnjanović

Proceedings Volume 6328, Nanomodeling II; 63280B (2006) https://doi.org/10.1117/12.679845
Event: SPIE Optics + Photonics, 2006, San Diego, California, United States

Abstract

Symmetry based calculations of the polarized optical absorption in single-wall MoS₂ nanotubes are presented. Optical conductivity tensor for the individual tubes, using line group symmetry implemented POLSym code and DFTB-calculated Slater type orbital functions and Hamiltonian/overlap matrix elements as input data is numerically evaluated. This minimal, full symmetry implementing algorithm enabled calculations of the optical response functions very efficiently and addressing the large diameter tubes and highly chiral tubes (which have huge number of atoms within a unit cell) as well. The absorption spectra dependence on the diameter and chiral angle of the nanotubes is investigated. The results obtained are related to the previously reported measured spectra.

Citation Download Citation

I. Milošević, G. Seifert, I. Popov, E. Dobardžić, B. Nikolić, and M. Damnjanović "Optical absorption in molybdenum disulfide nanotubes", Proc. SPIE 6328, Nanomodeling II, 63280B (8 September 2006); https://doi.org/10.1117/12.679845

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