[17p-PB1-1~15] 12.4 Organic light-emitting devices, organic transistors, and flexible devices

[17p-PB1-11] Electronic Properties of Organic Semiconductors: A Band Theory Approach

〇(B)Hiroki Kaji¹, Nobuhiko Kobayashi^1,2, Hiroyuki Ishii² (1.PMD, 2.Univ. of Tsukuba)

Keywords:

Organic semiconductors,Carrier mobility,First-principles calculation

For practical application of organic semiconductors, n-type semiconductors with high electron mobility comparable to p-type semiconductors are highly required. However, in general, the electron mobilities of organic semiconductors are significantly lower than the hole mobilities. In this study, we theoretically elucidate the origin of this difference. We calculate the electronic states, effective masses, and band mobilities of representative p-type and n-type semiconductors using density functional theory, and discuss the influence of electron–lattice interactions on the difference in electron and hole mobility by comparing them with experimental values for single-crystal devices.