Published 1979
| Version v1
Journal article
Electronic structure calculations for actinide compounds
Creators
- 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