Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
Volume 249, Issue 8, Pages 1571-1576Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.201147426
Keywords
band structure; density functional theory; organic materials; photoemission; semimetals; zwitterions
Categories
Funding
- National Science Foundation [CHE-0909580, DMR-0851703, EPS-0701525, DMR-0923021]
- Centre National de la Recherche Scientifique
- Ministere de la Recherche et des Nouvelles Technologies
- ANR [07-BLAN-0274-04]
- Nebraska Center for Materials and Nanoscience at University of Nebraska-Lincoln
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1105474] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0851703] Funding Source: National Science Foundation
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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.
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