First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes

2018 ◽  
Vol 122 (39) ◽  
pp. 22622-22631 ◽  
Author(s):  
Artëm E. Masunov ◽  
Kevin Torres ◽  
Alexander A. Dyakov ◽  
Irina D. Yushina ◽  
Ekaterina V. Bartashevich
Keyword(s):  
Crystal Engineering ◽  
First Principles ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Structure And Properties ◽  
Halogen Bonds

scholarly journals First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea

2017 ◽  
Vol 146 (24) ◽  
pp. 244104 ◽  
Author(s):  
Artëm E. Masunov ◽  
Arman Tannu ◽  
Alexander A. Dyakov ◽  
Anastasia D. Matveeva ◽  
Alexandra Ya. Freidzon ◽  
...  
Keyword(s):  
Crystal Engineering ◽  
First Principles ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials

Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials

2012 ◽  
Vol 51 (10) ◽  
pp. 5839-5843 ◽  
Author(s):  
Wenlong Yin ◽  
Kai Feng ◽  
Wenyu Hao ◽  
Jiyong Yao ◽  
Yicheng Wu
Keyword(s):  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Structure And Properties

Crystal Growth, Structure, and Properties of New Nonlinear Optical Materials: K2Ln(NO3)5·2H2O (Ln=La, Ce, Pr, Nd, Sm)

1999 ◽  
Vol 148 (2) ◽  
pp. 302-307 ◽  
Author(s):  
Wenting Dong ◽  
Hongjie Zhang ◽  
Qiang Su ◽  
Yonghua Lin ◽  
Shumei Wang ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Structure And Properties ◽  
Growth Structure

From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials

2021 ◽  
Author(s):  
Xiaodong Zhang ◽  
Lichao Guo ◽  
Bingbing Zhang ◽  
Jin Yu ◽  
Ying Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Optical Anisotropy ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Phase Matching ◽  
First Principles Method

Oxonitridosilicates are proposed to improve optical anisotropies of silicates as ultraviolet nonlinear optical materials by using the first principles method.

scholarly journals Planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes as nonlinear optical materials: first-principles simulation

RSC Advances ◽  
2019 ◽  
Vol 9 (44) ◽  
pp. 25336-25344 ◽  
Author(s):  
Lei Hu ◽  
Wencai Yi ◽  
Jianting Tang ◽  
Tongde Rao ◽  
Zuju Ma ◽  
...  
Keyword(s):  
First Principles ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials

Contradictory large SHG coefficients and wide bandgaps are simultaneously discovered in planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes.

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