Probing ion-ion and electron-ion correlations in liquid metals within the quantum hypernetted chain approximation

Citation
Ja. Anta et Aa. Louis, Probing ion-ion and electron-ion correlations in liquid metals within the quantum hypernetted chain approximation, PHYS REV B, 61(17), 2000, pp. 11400-11410
Citations number
64
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
17
Year of publication
2000
Pages
11400 - 11410
Database
ISI
SICI code
1098-0121(20000501)61:17<11400:PIAECI>2.0.ZU;2-5
Abstract
We use the quantum hypernetted chain approximation to calculate the ion-ion and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, C a, and Ga. We discuss trends in electron-ion structure factors and radial d istribution functions, and also calculate the free-atom and metallic-atom f orm factors, focusing on how bonding effects affect the interpretation of x -ray scattering experiments, especially measurements of the ion-ion structu re factor in the liquid metallic phase.