Determination of empirical parameters of inter-ionic potentials for lithium niobate

被引：0

作者：

Feng, Shao-Xin ^{[1
]}

Li, Bao-Hui ^{[1
]}

Jin, Qing-Hua ^{[1
]}

Guo, Zhen-Ya ^{[1
]}

Ding, Da-Tong ^{[1
]}

机构：

[1] Department of Physics, Nankai University, Tianjin 300071, China

来源：

| 2000年 / Science Press卷 / 49期

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摘要：

As a kind of important ferroelectric materials, lithium niobate is studied using shell model. The inter-ionic potential parameters and the shell model parameters are determined by empirical parameterization. Three - body bond bending terms is used to model the directional character of covalent bonds. Employment of relaxed fitting method makes our result better than the old one.

引用

共 50 条

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