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- 吉田 弘幸
- 京都大学化学研究所 JST さきがけ
書誌事項
- タイトル別名
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- Crystallographic Structure and Band Calculation of Pentacene Polymorphs
- ペンタセン ノ ケッショウ コウゾウ ト バンド ケイサン
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抄録
The relation between the crystallographic and electronic structures is discussed for single crystals and thin films of pentacene. The polymorphs of pentacene reported so far are reviewed with particular emphasis on the structural analysis of thin films using X-ray diffraction techniques. For the three different polymorphs of which the precise crystallographic structures are available, the band calculations are made using density functional theory. Band structures, effective masses and transfer integrals depend strongly on the crystallographic structures indicating a large difference in the transport properties. Only three transfer integrals are needed to describe the band structures in the framework of tight-binding approximation. By considering the relation between the transfer integrals and the crystal structure, the difference in the band structures can simply be explained by the different orientation angles of molecular long axis.<br>
収録刊行物
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- Journal of the Vacuum Society of Japan
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Journal of the Vacuum Society of Japan 56 (1), 24-31, 2013
一般社団法人 日本真空学会
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詳細情報 詳細情報について
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- CRID
- 1390001205295913600
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- NII論文ID
- 10031145734
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- NII書誌ID
- AA12298652
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- BIBCODE
- 2013JVSJ...56...24Y
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- ISSN
- 18824749
- 18822398
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- NDL書誌ID
- 024237203
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
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- 抄録ライセンスフラグ
- 使用不可