Details

Autor(en) / Beteiligte

• McIlroy, D.N.
• Zhang, Jiandi
• Dowben, P.A.
• Heskett, D.

Titel

Band gaps of doped and undoped films of molecular icosahedra

Ist Teil von

• Materials science & engineering. A, Structural materials : properties, microstructure and processing, 1996-10, Vol.217 (1-2), p.64-68

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

1996

Link zum Volltext

Quelle

Access via ScienceDirect (Elsevier)

Beschreibungen/Notizen

• The band gaps and electronic structures of doped and undoped films of molecular icosahedra are reported. The occupied and unoccupied electronic structure of undoped icosahedral closo-1,2-dicarbadodecarborane (C 2B 10H 12) thin films resembles that of the isolated molecule. The Fermi level of the molecular thin films is roughly at midgap. Upon initial Na doping of the orthocarborane films, an unoccupied extramolecular (exopolyhedral) state forms within the gap at an energy of about 3 eV above the Fermi energy. With Na doping, the film of molecular icosahedra resembles a system with Hubbard-like bands and an appreciable correlation U.