Analysis of optical properties of actinide dioxides

Ionic calculations, symmetry considerations, and detailed analysis of reflectivity experiments have been used to identify general features of the band structure of actinide dioxides with a fluorite lattice. The ionic calculations adjust atomic energy levels by the electrostatic energies arising from long range electric fields of the ionic lattice; the labelling of high lying energy bands is determined by symmetry; experimental analysis includes the use of appropriate sum rules. A combination of these considerations enable a tentative band scheme to be constructed. It is suggested that there are filled valence bands (GAMMA15,GAMMA'25) originating in oxygen 2p-states and empty conduction bands (GAMMA1,GAMMA12,GAMMA'25) originating in actinide 7s and 6d states. The mean band gap (Penn gap) is of the order of 14 eV. The actinide f-electron states, which lie approximately 5 eV below the conduction bands, are taken to be localized - at least in UO2. (author)