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.
Keywords:
optical spectra / molybdenum disulfide nanotubes / line group symmetry / electronic band structure
TY - JOUR
AU - Milošević, I.
AU - Seifert, Gotthard
AU - Popov, Igor
AU - Dobardzic, E.
AU - Nikolic, B.
AU - Damnjanović, M.
PY - 2006
UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/153
AB - 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.
PB - Spie-Int Soc Optical Engineering, Bellingham
T2 - Nanomodeling Ii
T1 - Optical absorption in molybdenum disulfide nanotubes
VL - 6328
DO - 10.1117/12.679845
ER -
@article{
author = "Milošević, I. and Seifert, Gotthard and Popov, Igor and Dobardzic, E. and Nikolic, B. and Damnjanović, M.",
year = "2006",
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.",
publisher = "Spie-Int Soc Optical Engineering, Bellingham",
journal = "Nanomodeling Ii",
title = "Optical absorption in molybdenum disulfide nanotubes",
volume = "6328",
doi = "10.1117/12.679845"
}
Milošević, I., Seifert, G., Popov, I., Dobardzic, E., Nikolic, B.,& Damnjanović, M.. (2006). Optical absorption in molybdenum disulfide nanotubes. in Nanomodeling Ii
Spie-Int Soc Optical Engineering, Bellingham., 6328.
https://doi.org/10.1117/12.679845
Milošević I, Seifert G, Popov I, Dobardzic E, Nikolic B, Damnjanović M. Optical absorption in molybdenum disulfide nanotubes. in Nanomodeling Ii. 2006;6328.
doi:10.1117/12.679845 .
Milošević, I., Seifert, Gotthard, Popov, Igor, Dobardzic, E., Nikolic, B., Damnjanović, M., "Optical absorption in molybdenum disulfide nanotubes" in Nanomodeling Ii, 6328 (2006),
https://doi.org/10.1117/12.679845 . .
