Computational Analysis of Thermal Energetic Disorder in a Pentacene Crystal: Temperature Dependence of Trap Levels and Possible Novel Thermoelectric Contribution

Shimada, Toshihiro; Ikuta, Yu; Tsuchida, Yuya et al.

Applied Physics Express, 2011, 4(6), 061601-1-061601-3

Permalink : https://hdl.handle.net/2115/45713

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アクセス権	open access
URI	https://hdl.handle.net/2115/45713
タイトル	Computational Analysis of Thermal Energetic Disorder in a Pentacene Crystal: Temperature Dependence of Trap Levels and Possible Novel Thermoelectric Contribution
著者	Shimada, Toshihiro ; Ikuta, Yu ; Tsuchida, Yuya ; Ohtomo, Manabu ; Hasegawa, Tetsuya
e-Rad_Researcher 10262148 著者名 Shimada, Toshihiro
著者名 Ikuta, Yu
著者名 Tsuchida, Yuya
著者名 Ohtomo, Manabu
著者名 Hasegawa, Tetsuya
言語	英語
発行日	2011-06
出版者	The Japan Society of Applied Physics
収録物名	Applied Physics Express
巻(号)	4(6)
ページ	061601-1-061601-3
抄録	In organic semiconductors, the sudden appearance of deep traps (30–100 meV) below 100–200 K is frequently observed experimentally even in highly crystalline films and single crystals. We analyzed this phenomenon by molecular dynamics combined with semi-empirical quantum chemical calculation, and found that defect levels are concealed by thermal disorder at high temperatures but appear as hole traps at low temperatures. We propose that the thermal energetic disorder may lead to a considerably large thermoelectric effect in organic semiconductors.
資源タイプ	学術雑誌論文
出版タイプ	Accepted Manuscript
権利情報	©2011 The Japan Society of Applied Physics
PISSN	1882-0778
EISSN	1882-0786
NCID	AA12295133
関連情報 (isVersionOf)	出版社版DOI https://doi.org/10.1143/APEX.4.061601