| Literature DB >> 24385866 |
Luis G Rosa1, Julian Velev1, Zhengzheng Zhang2, Jose Alvira3, Omar Vega3, Gerson Diaz3, Lucie Routaboul4, Pierre Braunstein4, Bernard Doudin5, Yaroslav B Losovyj6, Peter A Dowben7.
Abstract
There is compelling evidence of electron pockets, at the Fermi level, in the band structure for an organic zwitterion molecule of the p-benzoquinonemonoimine type. The electronic structure of the zwitterion molecular film has a definite, although small, density of states evident at the Fermi level as well as a nonzero inner potential and thus is very different from a true insulator. In spite of a small Brillouin zone, significant band width is observed in the intermolecular band dispersion. The results demonstrate that Bloch's theorem applies to the wave vector dependence of the electronic band structure formed from the molecular orbitals of adjacent molecules in a molecular thin film of a p-benzoquinonemonoimine type zwitterion.Entities:
Keywords: band structure; density functional theory; organic materials; photoemission; semimetals; zwitterions
Year: 2012 PMID: 24385866 PMCID: PMC3876477 DOI: 10.1002/pssb.201147426
Source DB: PubMed Journal: Phys Status Solidi B Basic Solid State Phys ISSN: 0370-1972 Impact factor: 1.710