1ST-PRINCIPLE STUDY OF HYBRIDIZATION EFFECTS AND MAGNETIC-ORDERING INCORRELATED-ELECTRON URANIUM SYSTEMS

Citation
Qg. Sheng et al., 1ST-PRINCIPLE STUDY OF HYBRIDIZATION EFFECTS AND MAGNETIC-ORDERING INCORRELATED-ELECTRON URANIUM SYSTEMS, Physical review. B, Condensed matter, 50(13), 1994, pp. 9215-9225
Citations number
19
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
50
Issue
13
Year of publication
1994
Pages
9215 - 9225
Database
ISI
SICI code
0163-1829(1994)50:13<9215:1SOHEA>2.0.ZU;2-0
Abstract
Correlated-f-electron systems have a wide range of f-electron delocali zation varying from ''almost localized'' to ''almost itinerant.'' Prev iously, techniques to calculate hybridization and exchange Coulomb int eraction in the f-electron systems have been developed from the ''core point of view.'' Such a procedure is appropriate for ''almost localiz ed'' systems, i.e., typically cerium systems where the electrons of in terest are 4f. Here techniques for the same purposes are discussed, an d that to calculate hybridization is developed in detail, from a ''ban d point of view'' in order to treat ''almost itinerant'' systems, i.e. , typically light actinide systems where the electrons of interest are 5f such as uranium systems. Calcualtions have been done for uranium m onopnictides and monochalcogenides. Results on magnetic ordering are i n good agreement with experiment. Validity and limitations of the two points of view are discussed in regard to their application to realist ic systems.