| Molecular fingerprints in the electronic properties of crystalline organic semiconductors: from experiment to theory. | |
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MedLine Citation:
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PMID: 23004626 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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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. |
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Authors:
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S Ciuchi; R C Hatch; H Höchst; C Faber; X Blase; S Fratini |
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Publication Detail:
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Type: Journal Article Date: 2012-06-18 |
Journal Detail:
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Title: Physical review letters Volume: 108 ISSN: 1079-7114 ISO Abbreviation: Phys. Rev. Lett. Publication Date: 2012 Jun |
Date Detail:
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Created Date: 2012-09-25 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0401141 Medline TA: Phys Rev Lett Country: United States |
Other Details:
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Languages: eng Pagination: 256401 Citation Subset: IM |
Affiliation:
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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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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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