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ID 16648
file
creator
Itou, M.
Sakurai, Y.
Usuda, M.
Cros, C.
NDC
Physics
abstract
The Compton profile of the Ba doped silicon clathrate (Ba 8Si46) has been studied using the high-resolution Compton scattering technique. The Compton profile is sensitive to the change of wave functions, and the good agreement between experiment and theory validates a theoretical prediction. A difference Compton profile between the Ba doped and nondoped clathrates (Si136) has been experimentally obtained and compared with that of a first-principles band structure calculation. The experiment and calculation show excellent agreement with respect to the overall shape in the profile. Analyses of partial density of the states (DOS) predict that, by doping Ba atoms into the Si cages, Ba 6s electrons are transferred into Ba 5d orbitals that are strongly hybridized with Si 3p orbitals. The hybridized states form a sharp peak of the DOS in close vicinity of the Fermi level, which plays an important role for the occurrence of superconductivity in Ba 8Si46.
journal title
Physical Review B - Condensed Matter and Materials Physics
volume
Volume 71
issue
Issue 12
start page
125125
date of issued
2005-03-15
publisher
American Physical Society
issn
1098-0121
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
text version
publisher
rights
Copyright (c) 2005 American Physical Society
relation url
department
Graduate School of Engineering