Correlated Electronic Properties of a Graphene Nanoflake: Coronene

• Main Authors: Suryoday Prodhan, Sumit Mazumdar, S. Ramasesha
• Format: Article
• Language: English
• Published: MDPI AG 2019-02-01
• Series: Molecules
• Subjects: symmetrized DMRG; strongly-correlated system; carbon nanodots; Pariser–Parr–Pople (PPP) model; low-lying excited states
• Online Access: https://www.mdpi.com/1420-3049/24/4/730

We report studies of the correlated excited states of coronene and substituted coronene within the Pariser–Parr–Pople (PPP) correlated <inline-formula> <math display="inline"> <semantics> <mi>π</mi> </semantics> </math> </inline-formula>-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.