'Covalent' effects in 'ionic' systems

被引:268
作者
Madden, PA
Wilson, M
机构
[1] Phys. and Theor. Chem. Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, United Kingdom
关键词
D O I
10.1039/cs9962500339
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Many materials which might be thought 'ionic', on the basis of the electronegativity difference between the elements involved, exhibit non-ionic (or 'covalent') structural features. Electronic structure investigations reveal the key concept that the properties of ions and their interactions are crucially influenced by their local coordination environment and that this gives a many-body character to the interionic forces. Simulations with suitable interaction models show that a wide range of 'covalent' behaviour may be accurately recovered within an ionic model.
引用
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页码:339 / &
页数:13
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