Conduction band electronic structure of metallic beryllium

Citation
Va. Sashin et al., Conduction band electronic structure of metallic beryllium, J PHYS-COND, 13(19), 2001, pp. 4203-4219
Citations number
53
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
13
Issue
19
Year of publication
2001
Pages
4203 - 4219
Database
ISI
SICI code
0953-8984(20010514)13:19<4203:CBESOM>2.0.ZU;2-E
Abstract
We have measured the bulk energy-momentum-resolved density of the conductio n band of metallic beryllium by means of electron momentum spectroscopy. Fr om the data we have determined the band dispersion, occupied bandwidth, ele ctron momentum density and density of states. The experimental results are compared with theoretical band-structure calculations performed within the full-potential linear muffin-tin orbital (FP-LMTO) approximation. There is good agreement between experiment and theory for the shape and intensity of the conduction band provided multiple-scattering and hole lifetime effects are included. The measured occupied bandwidth is 11.15 +/- 0.15 eV, which is larger than that predicted by our LMTO calculation, but agrees well with previous experimental and theoretical data. The experiment also reveals th at the band dispersion is narrower in momentum compared to theory, the diff erence reaching as much as 0.15 au near the free-electron]Fermi momentum.