Role of itinerant 5f states on the Fermi surface of Th and possible impurity local moment formation

Conference · Wed Jan 01 04:00:00 EST 1975 · AIP (Am. Inst. Phys.) Conf. Proc., no. 24, pp. 223-224

OSTI ID:4180117

Koelling, D D; Freeman, A J

The nature (itinerant vs. localized) of the 5f electrons in the actinides determines their magnetic properties. Extensive optical and de Haas-- van Alphen data which exist only for Th, the simplest actinide with no occupied 5f states, allow detailed comparisons to be made between theory and experiment. The 5f bands were found, by means of ab initio RAPW energy band calculations, to lie above the Fermi energy, to be itinerant in character and to significantly affect the reflectivity measurements of Veal, et al. We find that the 5f bands when included in the RAPW calculations, give excellent agreement with the deHaas- van Alphen results of Boyle and Gold, for all sections of the Lungs, Dumbell and Superegg Fermi surfaces, in contrast with calculations based on artificially removing the 5f resonance. Simple overlap charge density impurity scattering potential model calculations are used to discuss the possible occurrence of impurity local moment formation in Th based alloys. (auth)

• Research Organization: Argonne National Lab., IL
• NSA Number: NSA-33-003574
• OSTI ID: 4180117
• Conference Information: Journal Name: AIP (Am. Inst. Phys.) Conf. Proc., no. 24, pp. 223-224
• Country of Publication: United States
• Language: English

Related Subjects

*THORIUM BASE ALLOYS-- MAGNETIC MOMENTS
*THORIUM-- FERMI LEVEL
360104* --Materials--Metals & Alloys--Physical Properties
DE HAAS-VAN ALPHEN EFFECT
F STATES
GADOLINIUM ADDITIONS
IMPURITIES CERIUM ADDITIONS
N50230* --Metals
Ceramics
& Other Materials--Metals & Alloys--Properties
Structure & Phase Studies
URANIUM ADDITIONS