ELECTRONIC STRUCTURE OF NACL-TYPE COMPOUNDS OF THE LIGHT ACTINIDES - II. URANIUM MONOCHALCOGENIDES AND MONOPNICTIDES
The principal trends in the calculated paramagnetic ground state charge densities, lattice parameters and bulk moduli of the uranium chalcogenides and pnictides are analyzed in an approximation that neglects spin - orbit coupling. The increase in the size of the anion across a pnictide or chalcogenide series is responsible for a regular increase in the lattice parameter and a corresponding decrease in the bulk modulus. The decrease in the fractional volume occupied by the uranium atom leads to a narrowing of the uranium d-f band structure and a concomitant increase in the density of states at the Fermi level.
Bibliographic Reference: JOURNAL OF PHYSICS F: MET. PHYS., VOL. 14 (1984), PP. 653-661
Record Number: 1989122077000 / Last updated on: 1987-01-01
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