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

Journal Article · Tue Mar 14 23:00:00 EST 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.5647· OSTI ID:6318635

Eriksson, O; Johansson, B; Brooks, M S.S.; Skriver, H L

The electronic structure of the isostructural AIr/sub 2/ 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 PuIr/sub 2/ can be explained only by a fully relativistic treatment.

• Research Organization: Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, S-75121 Uppsala, Sweden
• OSTI ID: 6318635
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:9; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ACTINIDE ALLOYS
ALLOYS
AMERICIUM ALLOYS
CURIUM ALLOYS
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
FUNCTIONS
HYBRIDIZATION
INTERMETALLIC COMPOUNDS
IRIDIUM ALLOYS
LATTICE PARAMETERS
LAVES PHASES
LIGANDS
MAGNETIC PROPERTIES
NEPTUNIUM ALLOYS
PHYSICAL PROPERTIES
PLATINUM METAL ALLOYS
PLUTONIUM ALLOYS
PROTACTINIUM ALLOYS
SUPERCONDUCTIVITY
TEMPERATURE DEPENDENCE
THORIUM ALLOYS
URANIUM ALLOYS
WAVE FUNCTIONS