Published January 1, 2006
| Version v1
Journal article
Electronic properties of δ-Ce
Creators
- 1. National Key Laboratory for Surface Physics and Chemistry, PO Box 718-35, Mianyang 621907, Sichuan (China)
Description
In order to gain a valuable insight into the essence of 4f electron in the δ phase cerium (bcc structure), full-potential linearized augmented plane wave method supplemented with GGA + U correction has been employed to study its bulk, electronic, and optical properties. The present equilibrium volume and bulk modulus are in accord with the experimental values. The 4f spectrum only consists two separate Hubbard bands, and at Fermi level the spectral weight of 4f characters can be neglect. It is argued that the f electron in δ phase is highly correlated. The surprising similarity between the dielectric functions of δ-Ce and γ-Ce is also addressed, which can be understood in the resemblance of degree of 4f electron correlation
Availability note (English)
Available online at http://stacks.iop.org/1742-6596/29/54/jpconf6_29_009.pdf or at the Web site for the Journal of Physics. Conference Series (Online) (ISSN 1742-6596) http://www.iop.org/Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 29
- Journal Issue
- 1
- Journal Page Range
- p. 54-57
- ISSN
- 1742-6596
Conference
- Title
- 3. conference of the Asian Consortium for Computational Materials Science
- Acronym
- ACCMS-3
- Dates
- 8-11 Sep 2005
- Place
- Beijing (China)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37056154
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BCC LATTICES; CERIUM; CORRECTIONS; DIELECTRIC MATERIALS; ELECTRON CORRELATION; ELECTRONS; ENERGY SPECTRA; EQUILIBRIUM; FERMI LEVEL; GAIN; OPTICAL PROPERTIES; POTENTIALS
- Descriptors DEC
- AMPLIFICATION; CORRELATIONS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; ELEMENTARY PARTICLES; ELEMENTS; ENERGY LEVELS; FERMIONS; LEPTONS; MATERIALS; METALS; PHYSICAL PROPERTIES; RARE EARTHS; SPECTRA