Actinides spin-orbit coupling constants

A comparable temperature dependence of resistivity was obtained for a mixed phase sample of Cel2. The formation of apparently metallic phases for only the iodides of five lanthanide and actinide elements is considered in terms of the stoichiometry, the electronic structure of the cation, the possible nature of the band, and the role of the anion. In contrast, the intermediate Lai2.1,2 phase exhibits semiconduction. Its magnetic data between 80° and 300° K. can be best accounted for if the reduced component is considered to be La ", [Xe]5d with a ground term, a spin-orbit coupling constant A — 050 cm. and only small covalency and asymmetry parameters. 

Comparison of the nonrelativistic and scalar-relativistic results for fee Au reveals the large impact that relativity has on the lattice constant (6%) and bulk modulus (57%) [542]. The most important quaUtative change in the band structure of fee Au is the more than 2-eV lowering of the s-band relative to the bottom of d-bands. In addition, the overall width of the d-bands is increased by more than 15% due to a relativistic delocaUzation of the d- states. The spin-orbit coupling included LGGTO DFT-GGA calculations were made for fluorite structure actinide oxides MO2 (M=Th,U,Pu) and their clean and hydroxylated surfaces, [556], magnetic ordering in fee Pn [557] and bulk properties of fee Pb [558]. 

Attempts to interpret the spectra of the penta- and hexahalides of the actinides have been published, but the results should be considered preliminary only U(v) and Np(viX both Sf, have been analyzed in any detail. The magnitude of the spin-orbit interaction is known for U VI. Its free-ion spectrum has been interpreted in terms of a coupling constant, Csr= 7173.9 cm based on a... 

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