Electronic structure of cubic uranium compounds

Self-consistent cellular multiple scattering techniques and photo-emission energy distribution curves obtained for 20 < h nu < 80 eV are employed to study the density of states of UN and US. The are based on a model utilizing a finite cluster of atoms in a condensed-matter like boundary potent...

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Bibliographic Details
Published in:Zeitschrift f r Physik B Condensed Matter and Quanta 1979-01, Vol.32 (3), p.281-286
Main Authors: Erbudak, Mehmet, Keller, Jaime
Format: Article
Language:English
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Summary:Self-consistent cellular multiple scattering techniques and photo-emission energy distribution curves obtained for 20 < h nu < 80 eV are employed to study the density of states of UN and US. The are based on a model utilizing a finite cluster of atoms in a condensed-matter like boundary potential. The main results concern the mixing of the s-, p-, d- and f-states of U in a valence and a conduction The f-states form orbitals with the ligands, within the valence and conduction bands. In UN, the amount of f character in the valence band is only 0.3 electrons and the f electrons are in two resonant levels (of each spin) in the conduction band. Only the first of these levels is occupied for the local, alternate from-atom-to-atom, majority spin. 17 ref.--BA
ISSN:0340-224X
0722-3277
1434-6036
DOI:10.1007/BF01351505