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Influence of Fluorine on Electronic Structures and Nonlinear Optical Effects of A Series of Borate Crystals 学位论文
博士, 北京: 中国科学院大学, 2018
Authors:  Beenish Bashir
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D10-cation Systems  Borate Fluorides  Fluorooxoborates  First-principles Calculations  Structure-property Relationship  
CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances 期刊论文
INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 9, 页码: 4820-4823
Authors:  Zhang, ZZ (Zhang, Zhizhong);  Wang, Y (Wang, Ying);  Zhang, BB (Zhang, Bingbing);  Yang, ZH (Yang, Zhihua);  Pan, SL (Pan, Shilie)
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含d0、d10电子组态的硼酸盐二阶非线性光学基元的DFT研究 学位论文
博士, 北京: 中国科学院大学, 2017
Authors:  苏欣
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非线性光学材料  第一原理方法  含d0  电子结构  D10的阳离子贡献  
基于平面MO3基团的新型紫外无机光学晶体的设计组装及性能研究 学位论文
博士, 北京: 中国科学院大学, 2017
Authors:  刘莉莉
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双折射晶体  硼酸盐  碳酸盐  硝酸盐  
碱金属硼、碳酸盐的合成及光学性质研究 学位论文
硕士, 北京: 中国科学院大学, 2017
Authors:  刘琼
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碱金属  阳离子替换  晶体结构  第一性原理  
M4Mg4(P2O7)(3) (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications 期刊论文
CHEMISTRY OF MATERIALS, 2017, 卷号: 29, 期号: 4, 页码: 1845-1855
Authors:  Yu, HW (Yu, Hongwei);  Young, J (Young, Joshua);  Wu, HP (Wu, Hongping);  Zhang, WG (Zhang, Weiguo);  Rondinelli, JM (Rondinelli, James M.);  Halasyamani, PS (Halasyamani, P. Shiv)
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Na2ZnSn2S6: A mixed-metal thiostannate with large second-harmonic generation response activated by penta-tetrahedral [ZnSn4S14](10-) clusters 期刊论文
Science China-Technological Sciences, 2017, 卷号: 60, 期号: 10, 页码: 1465-1472
Authors:  Li, GM (Li GuangMao);  Wu, K (Wu Kui);  Liu, Q (Liu Qiong);  Yang, ZH (Yang ZhiHua);  Pan, SL (Pan ShiLie)
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Na2znsn2s6  Nonlinear Optical  Infrared  Second-harmonic Generation  
First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides 期刊论文
JOURNAL OF SOLID STATE CHEMISTRY, 2017, 卷号: 249, 期号: 5, 页码: 215-220
Authors:  Huang, JB (Huang, Junben);  Su, X (Su, Xin);  Hou, DW (Hou, Dianwei);  Lei, BH (Lei, Binghua);  Yang, ZH (Yang, Zhihua);  Pan, SL (Pan, Shilie)
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Optical Properties  Lone Pair Effects  Electronic Structure  Potassium Ag-containing Thioantimonates  
Exploring the Origin of High Dechlorination Activity in Polar Materials M2B5O9CI (M = Ca, Sr, Ba, Pb) with Built-In Electric Field 期刊论文
CHEMISTRY OF MATERIALS, 2017, 卷号: 29, 期号: 2, 页码: 639-647
Authors:  Fan, XY (Fan, Xiaoyun);  Wu, ZP (Wu, Zhipeng);  Wang, LC (Wang, Lichang);  Wang, CY (Wang, Chuanyi);  Fan, XY;  Wang, CY
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系列硼酸盐紫外非线性光学晶体的结构性能及材料设计研究 学位论文
博士, 北京: 中国科学院大学, 2016
Authors:  张兵兵
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非线性光学材料  硼酸盐  氟硼酸盐  密度泛函  原子切割