STRUCTURE FACTOR AND ELECTRONIC-STRUCTURE OF COMPRESSED LIQUID RUBIDIUM

Authors
Citation
J. Chihara et G. Kahl, STRUCTURE FACTOR AND ELECTRONIC-STRUCTURE OF COMPRESSED LIQUID RUBIDIUM, Physical review. B, Condensed matter, 58(9), 1998, pp. 5314-5321
Citations number
31
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
58
Issue
9
Year of publication
1998
Pages
5314 - 5321
Database
ISI
SICI code
0163-1829(1998)58:9<5314:SFAEOC>2.0.ZU;2-7
Abstract
We have applied the quantal hypernetted-chain equations in combination with the Rosenfeld bridge functional to calculate the atomic and the electronic structure of compressed liquid rubidium under high pressure (0.2, 2.5. 3.9, and 6.1 GPa); the calculated structure factors are in reasonable agreement with experimental results measured by Tsuji et n l. along the melting curve as a whole. It is found that the effective ion-ion interaction is practically unchanged with respect to the poten tial at room pressure under these high pressures. All structure factor s calculated for this pressure-variation coincide almost into a single curve if wave numbers are scaled in units of the Wigner-Seitz radius a although no corresponding scaling feature is observed in the effecti ve ion-ion interaction. This scaling property of the structure factors signifies that the compression in liquid rubidium is uniform with inc reasing pressure; in absolute Q values this means that the first peak position ce,, of the structure factor increases proportionally to V-1/ 3 (V bring the specific volume per ion), as was experimentally observe d by Tsuji et al. Obviously, this scaling property comes from a specif ic feature characteristic for effective ion-ion potentials of alkali l iquids. We have examined and confirmed this feature for the case of a liquid-lithium potential: starting from the liquid-lithium potential a t room pressure we can easily find two sets of densities and temperatu res for which the structure factors become practically identical, when scaling Q in units of a.