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- Title
The angular electronic band structure and free particle model of aromatic molecules: High-frequency photon-induced ring current.
- Authors
Öncan, Mehmet; Koç, Fatih; Şahin, Mehmet; Köksal, Koray
- Abstract
This work introduces an analysis of the relationship of first-principles calculations based on DFT method with the results of free particle model for ring-shaped aromatic molecules. However, the main aim of the study is to reveal the angular electronic band structure of the ring-shaped molecules. As in the case of spherical molecules such as fullerene, it is possible to observe a parabolic dispersion of electronic states with the variation of angular quantum number in the planar ring-shaped molecules. This work also discusses the transition probabilities between the occupied and virtual states by analyzing the angular electronic band structure and the possibility of ring currents in the case of spin angular momentum (SAM) or orbital angular momentum (OAM) carrying light. Current study focuses on the benzene molecule to obtain its angular electronic band structure. The obtained electronic band structure can be considered as a useful tool to see the transition probabilities between the electronic states and possible contribution of the states to the ring currents. The photoinduced current due to the transfer of SAM into the benzene molecule has been investigated by using analytical calculations within the frame of time-dependent perturbation theory.
- Subjects
ELECTRONIC band structure; AROMATIC compounds; PHOTONICS; RING currents; ANGULAR momentum (Nuclear physics)
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, Vol 31, Issue 13, p-1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979217500953