Community Research and Development Information Service - CORDIS

Abstract

The cohesive energies of the light actinide metals have been calculated from first principles using the density functional formalism and self-consistent RLMTO energy band calculations. The band contribution to cohesion increases across the series but the contribution from free atom preparation energies increases more rapidly, resulting in cohesive energies that decrease across the series. The modification of the band contribution to cohesion by spin - orbit splitting is significant in the middle of the series.

Additional information

Authors: BROOKS M S S JRC KARLSRUHE ESTAB. (GERMANY), JRC KARLSRUHE ESTAB. (GERMANY)
Bibliographic Reference: JOURNAL OF PHYSICS F: MET. PHYS., VOL. 14 (1984), PP. 1157-1171
Record Number: 1989122108100 / Last updated on: 1987-01-01
Category: PUBLICATION
Available languages: en