Anisotropy of the mobility of pentacene from frustration

被引：115

作者：

de Wijs, GA

Mattheus, CC

de Groot, RA

Palstra, TTM

机构：

[1] Univ Groningen, Ctr Mat Sci, Chem Phys Lab, NL-9747 AG Groningen, Netherlands

[2] FOM, Inst Condensed Matter, NL-6525 ED Nijmegen, Netherlands

来源：

SYNTHETIC METALS | 2003年 / 139卷 / 01期

关键词：

pentacene; bandstructure; effective mass; anisotropy; mobility;

D O I：

10.1016/S0379-6779(03)00020-1

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：109 / 114

页数：6

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