深紫外线非线性光学晶体: Ba3P3O10X (X = Cl, Br)
Peng Yu1, Li-Ming Wu, Liu-Jiang Zhou
1Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, People's Republic of China.
Journal of the American Chemical Society
|December 21, 2013
概括
新的深紫外线非线性光学 (NLO) 晶体,Ba3P3O10Cl和Ba3P3O10Br,可有效生成200nm以下的深紫外线光. 这些酸盐具有短的紫外线切割边缘和独特的结构性质,适用于先进的激光应用.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 晶体学 晶体学是指结晶学.
背景情况:
- 深紫外线非线性光学 (NLO) 晶体对于通过二次波生成 (SHG) 在200nm以下产生连贯光是至关重要的.
- 开发具有短紫外线切断边缘和高效的NLO特性的新型深紫外NLO材料仍然是一个重大挑战.
研究的目的:
- 发现和描述新的深紫外线NLO酸盐晶体.
- 调查管理其NLO业绩的结构-财产关系.
主要方法:
- 新型酸盐化合物的合成和晶体分析.
- 粉末和单晶的SHG测量.
- 密度函数理论 (DFT) 计算用于电子结构和NLO属性分析.
主要成果:
- 发现了前所未有的深紫外NLO酸盐,Ba3P3O10Cl (BPOC) 和Ba3P3O10Br (BPOB),代表了新的结构类型.
- 这些材料具有适度的粉末SHG强度,具有I型相匹配行为.
- 单晶的短紫外线切割边约为180nm,是酸盐中最短的.
- DFT的计算显示,SHG反应源于不对称的[P3O10](5-) 离子,Ba(2+) 离子和化物离子 (Cl-/Br-) 的协同作用.
结论:
- BPOC和BPOB是有希望的深紫外线NLO材料,具有出色的紫外线透明度和高效的SHG性能.
- 晶体包装显著影响[P3O10](5-) 建筑单元的几何和极化,影响NLO性能.
- 阴离子和阴离子成分的联合贡献是实现这些新型酸盐中高效的NLO反应的关键.
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