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

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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