Published April 17, 2000
| Version v1
Journal article
Ground State Theory of δ-Pu
Creators
Description
Correlation effects are important for making predictions in the δ phase of Pu. Using a realistic treatment of the intra-atomic Coulomb correlations we address the long-standing problem of computing ground state properties. The equilibrium volume is obtained in good agreement with experiment when taking into account Hubbard U of the order 4 eV. For this U, the calculation predicts a 5f5 atomiclike configuration with L=5 , S=5/2 , and J=5/2 and shows a nearly complete compensation between spin and orbital magnetic moments. (c) 2000 The American Physical Society
Additional details
Publishing Information
- Journal Title
- Physical Review Letters
- Journal Volume
- 84
- Journal Issue
- 16
- Journal Page Range
- p. 3670-3673
- ISSN
- 0031-9007
- CODEN
- PRLTAO
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 32059827
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- CRYSTAL STRUCTURE; ELECTRON CORRELATION; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STRUCTURE; GROUND SOURCE HEAT PUMPS; HUBBARD MODEL; MAGNETIC MOMENTS; PHASE DIAGRAMS; PLUTONIUM; THEORETICAL DATA
- Descriptors DEC
- ACTINIDES; CORRELATIONS; CRYSTAL MODELS; DATA; DIAGRAMS; ELEMENTS; HEAT PUMPS; INFORMATION; INTERACTIONS; LEPTON-LEPTON INTERACTIONS; MATHEMATICAL MODELS; METALS; NUMERICAL DATA; PARTICLE INTERACTIONS; TRANSURANIUM ELEMENTS
- Proposed descriptors and Free-text terms
- density functional theory