Crystal structures of curium compounds: an ab initio study
Abstract
The crystal structure and electronic properties of curium and its compounds are investigated using the density functional theory approach. The accuracy of the method is shown to be sufficient to describe structures with various types of chemical bonding: halides, pnictides, oxides, hydrides and intermetallic compounds. Selected examples are given of the studies of properties and phase stability of curium compounds under hydrostatic compression. Further applications of the theoretical approach to crystallography and solid state chemistry of actinides are suggested.
- Publication:
-
Journal of Nuclear Materials
- Pub Date:
- November 2003
- DOI:
- Bibcode:
- 2003JNuM..322..165M
