6533b859fe1ef96bd12b8013

RESEARCH PRODUCT

Valence electronic structure of C60: Theoretical analysis of photoemission data

P. M. Viruela‐martinEnrique OrtíR. Viruela‐martinFrancisco Tomás

subject

Valence (chemistry)ChemistryMechanical EngineeringInverse photoemission spectroscopyMetals and AlloysAngle-resolved photoemission spectroscopyElectronic structureCondensed Matter PhysicsSpectral lineElectronic Optical and Magnetic MaterialsCondensed Matter::Materials Sciencesymbols.namesakeMechanics of MaterialsCondensed Matter::SuperconductivityMaterials ChemistrysymbolsValence bandMoleculeCondensed Matter::Strongly Correlated ElectronsAtomic physicsHamiltonian (quantum mechanics)

description

Abstract We present a theoretical investigation of the valence band photoemission spectra of C 60 using the nonempirical valence effective Hamiltonian (VEH) method. The VEH-DOVS curves calculated for the C 60 molecule are found to be in excellent agreement with synchrotron-radiation photoemission spectra reported for C 60 films. A detailed interpretation of all the photoemission bands is performed in the light of the VEH results.

https://doi.org/10.1016/0379-6779(93)90110-i