Organic semiconductors: Polymorphism, phonon dynamics and carrier-phonon coupling in pentacene

被引：23

作者：

Della Valle, RG

Brillante, A

Farina, L

Venuti, E

Masino, M

Girlando, A ^{[1
]}

机构：

[1] Univ Parma, Dip Chimm GIAF, I-43100 Parma, Italy

[2] Univ Parma, INSTM UdR Parma, I-43100 Parma, Italy

[3] Univ Bologna, Dipartimento Chim Fis & Inorgan, I-40136 Bologna, Italy

[4] Univ Bologna, INSTM UdR Bologna, I-40136 Bologna, Italy

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2004年 / 416卷

关键词：

D O I：

10.1080/15421400490478542

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic stability and in molecular density. The two phases can be easily distinguished by Raman spectroscopy in the 10 - 100 cm(-1) spectral region. We have not found any temperature induced phase transition, whereas a sluggish phase change to the denser phase is induced by pressure. The bandwidths of the two phases are slightly different. The charge carrier coupling to low-frequency phonons is calculated.

引用

页码：145 / 154

页数：10

共 22 条

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