ELECTRONIC STRUCTURE OF NACL-TYPE COMPOUNDS OF THE LIGHT ACTINIDES - I. UN, UC AND UO
Self-consistent LMTO band structure calculations for the paramagnetic ground states of UN, UC and UO are reported. Analysis of the radial charge densities reveals that the radial bonding charge density is very similar in the three compounds. The lattice parameters and bulk moduli, evaluated from the calculated equations of state, are within 3 % and 11 % of experiment, respectively. UO and UN satisfy the Stoner criterion for ferromagnetism, whereas UC fails to do so.
Bibliographic Reference: JOURNAL OF PHYSICS F: MET. PHYS, VOL. 14 (1984), PP. 639-652
Record Number: 1989122076900 / Last updated on: 1987-01-01
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