[15p-K404-1~18] 12.2 Characterization and Materials Physics

4:15 PM - 4:30 PM JST(7:15 AM - 7:30 AM UTC)

[15p-K404-10] Multiscale simulation to reproduce low-energy inverse photoelectron spectra of amorphous organic semiconductor films

〇(B)Ota Nagaoka¹, Bjorn Baumeier², Reinder Coehoorn², Hiroyuki Yoshida^3,4 (1.Chiba Univ., 2.Eindhoven Univ. of Tech., 3.Chiba Univ., 4.Chiba Univ.)

Keywords:

organic semiconductor,low-energy inverse photoemission spectroscopy,electron affinity

In this study, we investigate a method to accurately evaluate the electron affinity of amorphous organic semiconductors α-MADN and β-MADN by reproducing low-energy inverse photoelectron spectroscopy (LEIPS) spectra in multi-scale simulations.770 The amorphous structure of the molecules is calculated under periodic boundary conditions, and polarization effects are incorporated, Analysis of the rise and peak positions of the LEIPS spectrum showed good agreement between experiment and simulation. On this basis, we discuss how the electron affinity is determined and the influence of the measurement resolution.