Published November 20, 1980
| Version v1
Journal article
Cohesive properties of CaF2 and UO2 in the atomic sphere approximation
Creators
- 1. Commission of the European Communities, Karlsruhe (Germany, F.R.). European Inst. for Transuranium Elements
Description
The zero-temperature equations of state UO2 and CaF2 have been computed from semi-relativistic LMT0 calculations. The calculated parameters are 1/2% above and 5% below the experimentally determined equilibria for UO2 and CaF2 respectively. The computed bulk moduli are 3.0 x 1012 and 0.71 x 1012 dyn cm-2 and the band gap of UO2 is found to be 5.35 ev. (author)
Additional details
Publishing Information
- Journal Title
- J. Phys., C (London). Solid State Phys.
- Journal Volume
- 13
- Journal Issue
- 32
- Series
- J. Phys., C (London). Solid State Phys.
- Journal Page Range
- L939-L945
- ISSN
- 0022-3719
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 12589933
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ABSOLUTE ZERO TEMPERATURE; BAND THEORY; CALCIUM FLUORIDES; ELASTICITY; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; LATTICE PARAMETERS; MUFFIN-TIN POTENTIAL; URANIUM OXIDES
- Descriptors DEC
- ACTINIDE COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; CALCIUM COMPOUNDS; CHALCOGENIDES; EQUATIONS; FLUORIDES; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; MECHANICAL PROPERTIES; OXIDES; OXYGEN COMPOUNDS; URANIUM COMPOUNDS