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.
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