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

[1] Determination of empirical parameters of inter-ionic potentials for lithium niobate
2000, (49):
[2] Determination of empirical parameters of inter-ionic potentials for lithium niobate
Feng, SX
Li, BH
Jin, QH
Guo, ZY
Ding, DT
ACTA PHYSICA SINICA, 2000, 49 (12) : 2433 - 2436
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CATLOW, CRA
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LECTURE NOTES IN PHYSICS, 1982, 166 : 130 - 161
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ONG, CK
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JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (08)
[9] RELATIVISTIC MODIFICATIONS OF INTER-IONIC POTENTIALS IN LEAD FLUORIDE
PYPER, NC
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JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (29): : 4711 - 4724
[10] INTER-IONIC POTENTIALS IN RUTILE-TYPE CRYSTALS
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JAIN, VK
PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1980, 59 (01): : 355 - 361

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