Electronic structure, cohesive and magnetic properties of the actinide-iridium Laves phases
The electronic structure of the isostructural AIr(2) systems (A = Th, Pa, U, Np, Pu, and Am) has been obtained by means of the scalar relativistic and fully relativistic linear muffin-tin orbital techniques. Ground-state properties such as lattice constants and onset of magnetic order have been calculated and compared with measured data. The hybridisation between the actinide 5f and the ligand 5d states and the direct 5f wave-function overlap are found to be of comparable importance for the bandwidth of the itinerant 5f states. The anomalous paramagnetism of PuIr(2) can be explained only by fully relativistic treatment.
Bibliographic Reference: Article: Physical Review B, Vol. 39 (1989)
Record Number: 198910990 / Last updated on: 1994-12-01
Original language: en
Available languages: en