Transfer-matrix method study of charge localization lengths in tetracene crystals with chemical impurities

2013
journal article
article
cris.lastimport.scopus2024-04-07T16:46:56Z
dc.abstract.enQuantum-chemical calculations have been performed to obtain ionization potentials and electron affini- ties of impurity molecules detected experimentally in tetracene crystals. Resulting data with a model of the disorder of charge-transfer integrals have been applied in transfer-matrix method calculations of localization lengths on a triangular two-dimensional lattice representing tetracene crystal. Neat systems (with purely off-diagonal disorder) exhibit very long localization lengths at the band center. Binomial diagonal disorder reduces localization lengths of states in the middle of the band; this effect is the largest for impurities with on-site energies most different from tetracene. Additional diagonal disorder (bino- mial or Gaussian) may increase correlation lengths for strongly localized states at the band edges. The net effect of the diagonal disorder close to band edges results from interplay of impurity concentration and its on-site energy.pl
dc.affiliationWydział Chemii : Zakład Metod Obliczeniowych Chemiipl
dc.contributor.authorEilmes, Andrzej - 127871 pl
dc.date.accessioned2015-06-03T09:19:35Z
dc.date.available2015-06-03T09:19:35Z
dc.date.issued2013pl
dc.description.physical16-24pl
dc.description.volume180pl
dc.identifier.doi10.1016/j.synthmet.2013.07.018pl
dc.identifier.eissn1879-3290pl
dc.identifier.issn0379-6779pl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/8799
dc.languageengpl
dc.language.containerengpl
dc.rights.licencebez licencji
dc.subject.entransfer-matrix methodpl
dc.subject.enon-site disorderpl
dc.subject.encharge transportpl
dc.subject.entetracenepl
dc.subject.enchemical impuritiespl
dc.subtypeArticlepl
dc.titleTransfer-matrix method study of charge localization lengths in tetracene crystals with chemical impuritiespl
dc.title.journalSynthetic Metalspl
dc.typeJournalArticlepl
dspace.entity.typePublication
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