Static dielectric properties of polarizable ion models: Molecular dynamics study of molten AgI and NaI

被引:11
作者
Bitrian, Vicente [1 ]
Alcaraz, Olga [1 ]
Trullas, Joaquim [1 ]
机构
[1] Univ Politecn Cataluna, Dept Fis & Engn Nucl, ES-08034 Barcelona, Spain
关键词
charge density waves; dielectric function; dielectric polarisation; melting; molecular dynamics method; silver compounds; sodium compounds; SIMULATION-MODEL; SYSTEMS; LIQUID; AGCL; FLUIDS; AGBR;
D O I
10.1063/1.3152241
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 fluctuation-dissipation theorem for the static dielectric response function of systems of ions with inducible point dipoles is derived. It is shown that the static longitudinal dielectric function is determined by spatial correlations of both charge and dipole-moment density fluctuations. Moreover, it is deduced that the long-wavelength behavior of the charge structure factor for polarizable ion systems is different from that for systems of rigid ions. Molecular dynamics simulation results of rigid and polarizable ion models for molten AgI and NaI are reported.
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页数:10
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