期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 142, 期 35, 页码 15157-15163出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.0c07256
关键词
-
资金
- National Natural Science Foundation of China [11704023, 51802321, 51872297, 51890864]
- Fujian Institute of Innovation in Chinese Academy of Sciences [FJCXY18010201]
Aimed to realize deep-ultraviolet (DUV, lambda < 200 nm) second harmonic generation (SHG), herein we systematically investigate the scheme for screening DUV nonlinear optical (NLO) material genes from traditional borates to hydroxyborates. From our first-principles studies, it is demonstrated that, if hydroxyborate motifs can be aligned by reasonable layered crystallization types, the resulting crystal will exhibit potential DUV NLO capability. Guided by the theoretical analysis and prediction, two targeted hydroxyborates AEB(8)O(15)H(4)(AE = Sr, Ca) screened from the inorganic crystal structure database are obtained in the experiments. Preliminary measurements including powder absorption spectra and SHG effects are in good agreement with our simulation results, well confirming our prediction that AEB(8)O(15)H(4) (AE = Sr, Ca) would be promising DUV NLO crystals with large band gaps, strong SHG effects, and sufficient birefringence. This work is the first demonstration that hydroxyborates can realize DUV SHG, which may bring new opportunities for finding DUV NLO materials in the hydroxyborate system.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据