Investigations on growth, structure, optical properties and laser damage threshold of organic nonlinear optical crystals of Guanidinium L-Ascorbate

2015 ◽  
Author(s):  
Ravi K. Saripalli ◽  
Sanath Kumar ◽  
H. L. Bhat ◽  
Suja Elizabeth
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Damage Threshold ◽  
Laser Damage Threshold ◽  
Laser Damage ◽  
Nonlinear Optical Crystals ◽  
Growth Structure ◽  
Optical Crystals

scholarly journals Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 1809 ◽  
Author(s):  
Yingfeng Li ◽  
Mengqi Cui ◽  
Hejin Yan ◽  
Yangxin Yu ◽  
Meicheng Li ◽  
...  
Keyword(s):  
Band Gap ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Damage Threshold ◽  
Laser Damage Threshold ◽  
First Principle ◽  
Nonlinear Optical Crystals ◽  
First Principle Calculations ◽  
Optical Crystals ◽  
Nlo Materials

Two nonlinear optical crystals, BaVO(IO3)5 and BaTaO(IO3)5, are designed by substituting Nb with V and Ta, respectively, in BaNbO(IO3)5, which is itself a recently synthesized infrared nonlinear optical (NLO) material. The designs of BaVO(IO3)5 and BaTaO(IO3)5 from BaNbO(IO3)5 are based on the following motivation: BaVO(IO3)5 should have a larger second-harmonic generation (SHG) coefficient than BaNbO(IO3)5, as V will result in a stronger second-order Jahn-Teller effect than Nb due to its smaller ion radius; at the same time, BaTaO(IO3)5 should have a larger laser-damage threshold, due to the fact that Ta has a smaller electronegativity leading to a greater band-gap. Established on reliable first-principle calculations, it is demonstrated that BaVO(IO3)5 has a much larger SHG coefficient than BaNbO(IO3)5 (23.42 × 10−9 vs. 18.66 × 10−9 esu); and BaTaO(IO3)5 has a significantly greater band-gap than BaNbO(IO3)5 (4.20 vs. 3.55 eV). Meanwhile, the absorption spectra and birefringences of both BaVO(IO3)5 and BaTaO(IO3)5 are acceptable for practice, suggesting that these two crystals can both be expected to be excellent infrared NLO materials.

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