Published 1979 | Version v1
Journal article

Electronic structure calculations for actinide compounds

  • 1. Commission of the European Communities, Karlsruhe (Germany, F.R.). European Inst. for Transuranium Elements

Description

In this paper we describe the use of muffin tin orbital techniques, employed in a variety of approximations, to help understand the band structure and bonding in actinide metals and compounds. Simple methods of assessing bandwidths and placings, readily accessible to experimentalists, are reviewed for both metals and compounds and their limitations discussed. Examples from the uranium monopnictides and chalcogenides, where a band structure approach is likely to be valid, are presented. Special emphasis is placed upon the mixing of the f-d bands of uranium with the p-bands of the pnictogen

Additional details

Publishing Information

Journal Title
J. Phys. (Paris), Colloq.
Journal Issue
no.4
Series
J. Phys. (Paris), Colloq.

Conference

Title
3. International conference on electronic structure of the actinides.
Dates
30 Aug - 1 Sep 1978.
Place
Grenoble, France.

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
11506436
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference, Numerical Data
Descriptors DEI
ACTINIDE COMPOUNDS; ACTINIDES; BAND THEORY; CHALCOGENIDES; ELECTRONIC STRUCTURE; GRAPHS; THEORETICAL DATA; URANIUM COMPOUNDS
Descriptors DEC
DATA; DATA FORMS; ELEMENTS; INFORMATION; METALS; NUMERICAL DATA