Correlated Electronic Properties of a Graphene Nanoflake: Coronene
AffiliationUniv Arizona, Dept Phys
Univ Arizona, Coll Opt Sci
KeywordsPariser–Parr–Pople (PPP) model
low-lying excited states
MetadataShow full item record
CitationProdhan S, Mazumdar S, Ramasesha S. Correlated Electronic Properties of a Graphene Nanoflake: Coronene. Molecules. 2019; 24(4):730.
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AbstractWe report studies of the correlated excited states of coronene and substituted coronene within the Pariser-Parr-Pople (PPP) correlated -electron model employing the symmetry-adapted density matrix renormalization group technique. These polynuclear aromatic hydrocarbons can be considered as graphene nanoflakes. We review their electronic structures utilizing a new symmetry adaptation scheme that exploits electron-hole symmetry, spin-inversion symmetry, and end-to-end interchange symmetry. The study of the electronic structures sheds light on the electron correlation effects in these finite-size graphene analogues, which diminishes going from one-dimensional to higher-dimensional systems, yet is significant within these finite graphene derivatives.
NoteOpen access journal
VersionFinal published version
SponsorsIndo-US Science and Technology Forum (IUSSTF) [JC-37/2012]; Department of Science and Technology, India [DST/EMR/2016/005183]; National Science Foundation [CHE-1764152]
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