LiNbO3晶体点缺陷形成能的经验途径计算

无机材料学报, 2003, 18(2): 283-288. doi: 10.3321/j.issn:1000-324X.2003.02.005

LiNbO3晶体点缺陷形成能的经验途径计算

冯少新 ^1, , 李宝会 ^2, , 杨智 ^3, , 金庆华 ^4, , 郭振亚 ^5, , 丁大同 ^6,

1.南开大学物理系,天津,300071

2.南开大学物理系,天津,300071

3.南开大学物理系,天津,300071

4.南开大学物理系,天津,300071

5.南开大学物理系,天津,300071

6.南开大学物理系,天津,300071

基金项目: 国家高技术研究发展计划(863计划)(715-001-0102)

关键词：铌酸锂 , 电子壳层模型 , 点缺陷形成能 , 经验途径计算

Empirical Calculations of the Formation Energies of Point Defects in Lithium Niobate

基于通过经验参数化方法确定的铌酸锂晶体内离子间互作用势参数,计算了该晶体中点缺陷的形成能,由此判断锂frenkel对是化学计量比铌酸锂晶体中的本征缺陷,锂空位模型为描述一致熔化组分铌酸锂晶体中点缺陷的主导类型.

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材料期刊网

LiNbO3晶体点缺陷形成能的经验途径计算

Empirical Calculations of the Formation Energies of Point Defects in Lithium Niobate

参考文献