Document Details

Document Type : Article In Journal 
Document Title :
Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion
Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion
 
Document Language : English 
Abstract : 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. 
ISSN : 1948-7185 
Journal Name : JOURNAL OF PHYSICAL CHEMISTRY LETTERS 
Volume : 3 
Issue Number : 22 
Publishing Year : 1433 AH
2012 AD 
Article Type : Article 
Added Date : Wednesday, July 12, 2017 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
y LiuLiu, y Researcher  
V CoropceanuCoropceanu, v Researcher  
J BredasBredas, J Researcher  

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