[9a-B32-1~12] 12.2 Characterization and Materials Physics

10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)

[9a-B32-6] Theoretical study for band modulation by hole-phonon coupling in organic semiconductor rubrene

〇(P)Tomoya Aizawa^1,2, Keisuke Fukutani^3,4, Satoshi Kera^3,4, Hiroyuki Ishii^1,2 (1.Univ. of Tsukuba, 2.OIQSST Univ. of Tsukuba, 3.IMS, 4.SOKENDAI)

Keywords:

organic semiconductors,condensed matter physics,theoretical physics

In organic semiconductors, the electron-phonon interaction strongly influences the electronic states. The angle-resolved photoelectron spectroscopy has reported the intra-band gap opening in the valence band of rubrene single crystal, and this is out of framework of the conventional density functional theory. This origin has been considered as the electron-phonon interaction, whereas the analysis has been limited to the one-dimensional toy model. Therefore, in our study, we calculated realistic material parameters of rubrene and the polaron band using them, and confirmed the observed band modulation.