Physical review. B, Condensed matter · 1997 · 35 citations · 16 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsQuantum ChemistrySpectroscopyAb Initio MethodsElectronic Band StructureElectronic SpectroscopyElectronic StructureMolecular Orbital TheoryMolecular Quantum MechanicsBonding OrbitalsElectron DensityEnergy DensityEnergy-momentum RelationFullerenes
The energy-resolved electron-momentum density of fullerene has been measured. Clear differences are found from the energy-momentum densities of either diamond or graphite. The energy-momentum density of fullerene can be described as being composed of a $\ensuremath{\sigma}$ band and a split $\ensuremath{\pi}$ band. The observed spectral momentum densities are compared to the calculated orbitals of a C${}_{60}$ molecule in momentum space. Good agreement is found. A simple classification of the orbitals is proposed that explains elegantly the calculated and observed structures. The splitting of the $\ensuremath{\pi}$ band can be interpreted as a consequence of the curvature of the carbon network forming the fullerene molecule.
16
Electron momentum spectroscopy of atoms and molecules
I. E. McCarthy, E. Weigold · Reports on Progress in Physics · 1991 · 505 citations
Natural Sciences, Chemistry, Physics +15