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

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Title: Computational Analysis of Thermal Energetic Disorder in a Pentacene Crystal: Temperature Dependence of Trap Levels and Possible Novel Thermoelectric Contribution
Authors: Shimada, Toshihiro Browse this author →KAKEN DB
Ikuta, Yu Browse this author
Tsuchida, Yuya Browse this author
Ohtomo, Manabu Browse this author
Hasegawa, Tetsuya Browse this author
Issue Date: Jun-2011
Publisher: The Japan Society of Applied Physics
Journal Title: Applied Physics Express
Volume: 4
Issue: 6
Start Page: 061601-1
End Page: 061601-3
Publisher DOI: 10.1143/APEX.4.061601
Abstract: 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.
Rights: ©2011 The Japan Society of Applied Physics
Type: article (author version)
URI: http://hdl.handle.net/2115/45713
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 島田 敏宏

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