Dielectric screening effects in molten AgI-AgBr system

被引：5
|
作者：
Matsunaga, S. [1 ]
Saito, M.
Koishi, T.
Tamaki, S.
机构：
[1] Nagaoka Natl Coll Technol, Nagaoka, Niigata 9408532, Japan
[2] Niigata Univ, Fac Med, Sch Hlth Sci Basic Radiol Technol, Niigata 9518518, Japan
[3] RIKEN, Innovat Nanopatterning Res Lab, Wako, Saitama 3510198, Japan
[4] Niigata Univ, Fac Sci, Dept Phys, Niigata 9502181, Japan
来源：
MOLECULAR SIMULATION | 2007年 / 33卷 / 1-2期
关键词：
dielectric screening; charge-charge structure factor; noble-metal halide; molecular dynamics simulation;
D O I：
10.1080/08927020601067532
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The screened effect in molten AgI-AgBr system is discussed by the inverse dielectric function 1/epsilon(q), which is newly obtained in terms of the charge-charge structure factor S-zz(q) by the re-examined theory of dielectric screening in molten salts. S-zz(q) and in due course, 1/epsilon(q) are obtained from structural properties of molten AgI-AgBr system by molecular dynamics (MD) simulations. The obtained 1/epsilon(q) is multiplied onto the attractive part in the inter-ionic potential between cation and anion to obtain the screened potential. The total screened potential is examined in terms of the potential of mean force.
引用
收藏
页码：153 / 158
页数：6
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