Document Detail

Molecular fingerprints in the electronic properties of crystalline organic semiconductors: from experiment to theory.
MedLine Citation:
PMID:  23004626     Owner:  NLM     Status:  In-Data-Review    
By comparing photoemission spectroscopy with a nonperturbative dynamical mean field theory extension to many-body ab initio calculations, we show in the prominent case of pentacene crystals that an excellent agreement with experiment for the bandwidth, dispersion, and lifetime of the hole carrier bands can be achieved in organic semiconductors, provided that one properly accounts for the coupling to molecular vibrational modes and the presence of disorder. Our findings rationalize the growing experimental evidence that even the best band structure theories based on a many-body treatment of electronic interactions cannot reproduce the experimental photoemission data in this important class of materials.
S Ciuchi; R C Hatch; H Höchst; C Faber; X Blase; S Fratini
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Publication Detail:
Type:  Journal Article     Date:  2012-06-18
Journal Detail:
Title:  Physical review letters     Volume:  108     ISSN:  1079-7114     ISO Abbreviation:  Phys. Rev. Lett.     Publication Date:  2012 Jun 
Date Detail:
Created Date:  2012-09-25     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0401141     Medline TA:  Phys Rev Lett     Country:  United States    
Other Details:
Languages:  eng     Pagination:  256401     Citation Subset:  IM    
Istituto dei Sistemi Complessi CNR, CNISM and Dipartimento di Fisica, Università dell'Aquila, via Vetoio, I-67100 Coppito-L'Aquila, Italy.
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