Electronic structure, cohesive, and magnetic properties of the actinide-iridium Laves phases

O. Eriksson, B. Johansson, M. S. S. Brooks, Hans Lomholt Skriver

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Abstract

The electronic structure of the isostructural AIr2 systems (A=Th, Pa, U, Np, Pu, and Am) has been obtained by means of the scalar relativistic and fully relativistic linear muffin-tin orbital techniques. Ground-state properties such as lattice constants and onset of magnetic order have been calculated and compared with measured data. The hybridization between the actinide 5f and the ligand 5d states and the direct 5f wave-function overlap are found to be of comparable importance for the bandwidth of the itinerant 5f states. The anomalous paramagnetism of PuIr2 can be explained only by a fully relativistic treatment.
Original languageEnglish
JournalPhysical Review B
Volume39
Issue number9
Pages (from-to)5647-5654
ISSN2469-9950
DOIs
Publication statusPublished - 1989

Bibliographical note

Copyright (1989) by the American Physical Society.

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