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ID 18644
file
creator
Shimojo, Fuyuki
Zempo, Yasunari
Watabe, Mitsuo
abstract
The effects of compression on the structural and electronic properties of liquid rubidium are studied along the melting curve by means of a first-principles molecular-dynamics simulation. It is shown that the calculated pair distribution functions g(r) are in good agreement with the experimental results for a wide range of pressures; the liquid rubidium is compressed uniformly at 2.5 GPa, and there exist some deviations from the uniform compression at 6.1 GPa. This structural change to a denser state is related to an electronic s-d transition in the liquid state. It is found that, near the triple point, the electronic density of states consists mostly of the s component and, with increasing pressure, the s component decreases gradually over a wide range of energy, and the d component near the Fermi level increases.
journal title
Physical Review B - Condensed Matter and Materials Physics
volume
Volume 55
issue
Issue 9
start page
5708
end page
5711
date of issued
1997-05-01
publisher
American Physical Society
issn
1098-0121
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) 1997 American Physical Society.
relation url
department
Graduate School of Integrated Arts and Sciences



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