ELECTRONIC STATES IN METAL-AMMONIA SOLUTIONS

被引:64
作者
DENG, ZH
MARTYNA, GJ
KLEIN, ML
机构
[1] Department of Chemistry, University of Pennsylvania, Philadelphia
关键词
D O I
10.1103/PhysRevLett.71.267
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Quantum simulation studies have been performed on metal-ammonia solutions for a wide range of concentrations using a model consisting of excess electrons in a molecular solvent. At low electron concentrations, the electron density is localized, and the electrons pair to form peanut-shaped bipolarons. At higher electron concentrations, the bipolarons exhibit a tendency to cluster. Eventually, at yet higher concentrations, the electron density becomes delocalized and spans the system indicating that the system has become metallic.
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页码:267 / 270
页数:4
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