Presentation Information
[1P14]ARPES intensity calculations for rubrene organic semiconductors
*Honoka Ikeda1, Misa Nozaki1, Peter Krüger1 (1. Graduate School of Science and Engineering, Chiba University)
Organic semiconductors are gaining attention for their lightweight, flexible, and printable nature, making them suitable for devices like organic electroluminescence (OEL). Understanding their charge transport mechanisms is crucial, and ARPES is commonly used to measure their band structures.This study focuses on rubrene, which has high electron mobility (40 cm²/Vs), one of the highest among organic semiconductors. However, whether charge transport in rubrene is dominated by band-type or hopping-type conduction remains debated.The ARPES intensity of rubrene was calculated using density functional theory and the plane-wave approximation. Two HOMO bands were observed, with the intensity distribution matching experimental data in certain regions. However, discrepancies at the Γ and Y points of the Brillouin zone were noted, possibly due to dimerization, phonon vibrations, or structural disorder, which affects band state coherence and localization.