期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 3, 期 22, 页码 3325-3329出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz301575u
关键词
-
类别
资金
- National Science Foundation under the STC Program [DMR-0120967]
- MRSEC Program [DMR-0819885]
- CRIF Program [CHE-0946869]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0946869] Funding Source: National Science Foundation
We report on electronic-structure calculations for the pentacene and rubrene crystals, based on experimental crystal geometries measured at different temperatures. The results are in very good agreement with angle-resolved photoelectron spectroscopy data that indicate that the widths of the valence and conduction bands in both materials become narrower at higher temperatures. Our findings strongly suggest that the thermal bandwidth narrowing in the pentacene and rubrene crystals is primarily caused by the thermal expansion of the lattice rather than by a renormalization of the transfer integrals induced by a polaron effect. The effect of thermal expansion on the charge-transport properties is also discussed.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据