Chemical-bond properties and hardness of nonlinear optical crystals LiB3O5 and β-BaB2O4

被引：3
|
作者：
Zhao, Guangping [1 ]
Yu, Bingjie [1 ]
机构：
[1] Yanshan Univ, Coll Environm & Chem Engn, Qinhuangdao 066004, Peoples R China
来源：
CANADIAN JOURNAL OF CHEMISTRY | 2009年 / 87卷 / 06期
关键词：
nonlinear optical crystal; chemical bond; hardness; borate; BORON-RICH COMPOUNDS; MECHANICAL-PROPERTIES; SINGLE-CRYSTALS; ORIGIN;
D O I：
10.1139/V09-053
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The chemical-bond parameters of LiB3O5 (LBO) and beta-BaB2O4 (BBO) nonlinear optical crystals have been calculated using the chemical-bond theory of complex crystals. Their hardnesses have been predicted by the chemical-bond definition of hardness. The calculated results indicate that their hardnesses are determined only by Li-O and Ba-O bonds. The BO3 anionic clusters do not contribute to their hardness. The calculation of hardness indicates that all of the compounds possess good mechanical properties.
引用
收藏
页码：720 / 723
页数：4
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