Electronic structure and positron annihilation in LaB/sub 6/ and CeB/sub 6/

Journal Article · Mon May 01 00:00:00 EDT 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.8822· OSTI ID:6114668

Kubo, Y; Asano, S

The energy-band structures for LaB/sub 6/ and CeB/sub 6/ are calculated by the full-potential linearized augmented-plane-wave (FLAPW)= method on the basis of the local-density approximation. The results of the FLAPW band calculations are applied for the calculations of the three-dimensional Lock-Crisp-West (LCW) folded momentum densities (3D LCW FMD's) of positron annihilation in LaB/sub 6/ and CeB/sub 6/ within an independent-particle model (IPM). The results are compared with the experimental ones reconstructed from two-dimensional angular correlation of positron-annihilation-radiation data by Tanigawa et al. Good agreement is observed in the general structures shown by the experimental and the theoretical 3D LCW FMD's. It is indicated that the basic structures of the 3D LCW FMD in LaB/sub 6/ are mainly determined by the Fermi-surface topology, and those in CeB/sub 6/ are due not only to the Fermi-surface topology but also the characters of the electron states near the Fermi energy. The detailed comparison of the experimental results with the IPM ones by the FLAPW method leads to qualitative discussions over the IPM framework in the systems of LaB/sub 6/ and CeB/sub 6/.

• Research Organization: Department of Physics, Colleges of Humanities and Sciences, Nihon University, Tokyo 156, Japan
• OSTI ID: 6114668
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Vol. 39:13
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CERIUM BORIDES
ELECTRONIC STRUCTURE
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ANGULAR CORRELATION
ANNIHILATION
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POSITRONS
ANTILEPTONS
ANTIMATTER
ANTIPARTICLES
BASIC INTERACTIONS
BORIDES
BORON COMPOUNDS
CERIUM COMPOUNDS
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ELECTROMAGNETIC INTERACTIONS
ELEMENTARY PARTICLES
ENERGY LEVELS
FERMIONS
INTERACTIONS
LANTHANUM COMPOUNDS
LEPTONS
RARE EARTH COMPOUNDS
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