Published January 1, 2006 | Version v1
Journal article

Electronic properties of δ-Ce

  • 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

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