Bulk and surface electronic structure of actinide, rare earth, and transition metal elements and compounds
This is the final report for a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project sought to study of unusual magnetic and structural properties of rare earth, actinide, and transition metals through high-precision electronic structure calculations. Magnetic moment anisotropies in bulk and surface systems were studied, with emphasis on novel surfaces with unusual magnetic properties with possible applicability in magnetic recording. The structural stability, bonding properties, and elastic response of the actinides, as well as transition and rare earth elements and compounds, were also studied. The project sought to understand the unusual crystallographic and cohesive properties of the actinides and the importance of correlation to structural stability and the nature of the delocalization transition in these elements. Theoretical photoemission spectra, including surface effects, were calculated for rare earths and actinides.
- Research Organization:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 258186
- Report Number(s):
- LA-UR-96-2259; ON: DE96012855; TRN: 96:016990
- Resource Relation:
- Other Information: PBD: [1996]
- Country of Publication:
- United States
- Language:
- English
Similar Records
Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles
Theoretical studies of the crystal structure of rare earths and actinides at zero temperature