The structure of molten CuBr

被引：31

作者：

Pusztai, L ^{[1
]}

McGreevy, RL ^{[1
]}

机构：

[1] Studsvik Neutron Res Lab, S-61182 Nykoping, Sweden

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 03期

关键词：

D O I：

10.1088/0953-8984/10/3/006

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Reverse Monte Carlo modelling of isotopic substitution neutron diffraction data for molten CuBr (D Allen and R A Howe 1992 J. Phys.: Condens. Matter 4 6029) is used to show that a flat partial radial distribution function g(CuCu)(r) is a possible numerical solution, but not a possible physical solution. The best model derived is a close-packed liquid of Br- ions within which Cu+ ions occupy approximately tetrahedral interstices. This structure is a natural continuation of trends as a function of temperature within the crystalline gamma-phase and the fast-ion-conducting beta- and alpha-phases.

引用

页码：525 / 532

页数：8

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