LIQUID STRUCTURE OF THE ALKALINE-EARTH METALS

被引:51
|
作者
GONZALEZ, LE [2 ]
MEYER, A
INIGUEZ, MP
GONZALEZ, DJ
SILBERT, M
机构
[1] NO ILLINOIS UNIV,DEPT PHYS,DE KALB,IL 60115
[2] UNIV VALLADOLID,FAC CIENCIAS,DEPT FIS TEOR,E-47011 VALLADOLID,SPAIN
[3] UNIV E ANGLIA,SCH PHYS,NORWICH NR4 7TJ,NORFOLK,ENGLAND
来源
PHYSICAL REVIEW E | 1993年 / 47卷 / 06期
关键词
D O I
10.1103/PhysRevE.47.4120
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We present ab initio calculations of the liquid structure of the alkaline-earth metals. Our approach is based on the neutral-pseudoatom method to obtain the interionic pair potential and on the variational-modified-hypernetted-chain integral-equation theory of liquids [Y. Rosenfeld, J. Stat. Phys. 42, 437 (1986)] to obtain the liquid structure. This combination results in a whole theory that is free of adjustable parameters. We find that our pair potentials follow the expected trends for these metals. The predicted static structure factors axe in good agreement with the available experimental data [Y. Waseda, The Structure of Non-Crystalline Materials (McGraw-Hill, New York, 1980)].
引用
收藏
页码:4120 / 4129
页数:10
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