The 67th JSAP Spring Meeting 2020

Presentation information

Oral presentation

17 Nanocarbon Technology » 17.1 Carbon nanotubes & other nanocarbon materials

[15a-A403-1~11] 17.1 Carbon nanotubes & other nanocarbon materials

Sun. Mar 15, 2020 9:00 AM - 12:00 PM A403 (6-403)

Masamichi Yoshimura(Toyota Technol. Inst.)

11:45 AM - 12:00 PM

[15a-A403-11] Theoretical study on optical properties and polarization dependence on triptycene molecular membrane

Masashi Akita1, Yasumaru Fujii2, Mina Maruyama2, Susumu Okada2, Katsunori Wakabayashi1 (1.Kwanseigakuin Univ., 2.Tsukuba Univ)

Keywords:Triptycene, Optical properties

We numerically analyze the light absorption intensity of triptycene molecular membrane (TMM) under the linearly- and circularly-polarized light irradiation. TMM is one of the artificial molecular membrane composed of triptycene which is propeller-type hydrocarbon. Since the lattice structure of TMM provides the Kagome-lattice network for sp2 carbons, the electronic structures of TMM should have the characteristic energy band structures of Kagome lattice, i.e. π-electronic band structure of graphene with a perfect flat band.
Recently, first-principles calculations using density functional theory (DFT) clarify the existence of Kagome-like energy band structures in TMM. Owing to the presence of flat band, it is also expected to have characteristic optical properties in this system.
In our research, we build the tight-binding model which reproduce the energy band structures obtained from DFT, and evaluate the light absorption intensity under the light irradiation using Kubo-formula.
Particularly, since circularly polarized light makes the valley polarized state in TMM, TMM is good candidate material of the opt-valleytronics devise.