Hopping and band mobilities of pentacene, rubrene, and 2,7-dioctyl[1]benzothieno[3,2- b ][1]benzothiophene (C8-BTBT) from first principle calculations
2013; American Institute of Physics; Volume: 139; Issue: 1 Linguagem: Inglês
10.1063/1.4812389
ISSN1520-9032
AutoresH. Kobayashi, Norihito Kobayashi, Shizuka Hosoi, Naoki Koshitani, Daisuke Murakami, Raku Shirasawa, Yoshihiro Kudo, Daisuke Hobara, Yuichi Tokita, Masao Itabashi,
Tópico(s)Semiconductor materials and interfaces
ResumoHopping and band mobilities of holes in organic semiconductors at room temperature were estimated from first principle calculations. Relaxation times of charge carriers were evaluated using the acoustic deformation potential model. It is found that van der Waals interactions play an important role in determining accurate relaxation times. The hopping mobilities of pentacene, rubrene, and 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) in bulk single crystalline structures were found to be smaller than 4 cm(2)∕Vs, whereas the band mobilities were estimated between 36 and 58 cm(2)∕Vs, which are close to the maximum reported experimental values. This strongly suggests that band conductivity is dominant in these materials even at room temperature.
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