Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo2O9—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

2013 ◽  
Vol 114 (23) ◽  
pp. 233505 ◽  
Author(s):  
S. T. Zhou ◽  
Y. Huang ◽  
W. Y. Qiu ◽  
Y. L. Li ◽  
S. M. He ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Optical Phonon ◽  
First Principles ◽  
Nonlinear Optical ◽  
Optical Material ◽  
Infrared And Raman Spectra ◽  
First Principles Calculations ◽  
Nonlinear Optical Material ◽  
Phonon Properties

Infrared and Raman spectra ofβ−BC2Nfrom first principles calculations

2006 ◽  
Vol 74 (19) ◽  
Author(s):  
Jian Sun ◽  
Xiang-Feng Zhou ◽  
Jing Chen ◽  
Ya-Xian Fan ◽  
Hui-Tian Wang ◽  
...  
Keyword(s):  
Raman Spectra ◽  
First Principles ◽  
Infrared And Raman Spectra ◽  
First Principles Calculations

scholarly journals Infrared and Raman spectra of Bi2O2X and Bi2OX2 (X = S, Se, and Te) studied from first principles calculations

RSC Advances ◽  
2019 ◽  
Vol 9 (31) ◽  
pp. 18042-18049 ◽  
Author(s):  
Yao-Di Xu ◽  
Cong Wang ◽  
Yang-Yang Lv ◽  
Y. B. Chen ◽  
Shu-Hua Yao ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Raman Spectra ◽  
First Principles ◽  
Infrared And Raman Spectra ◽  
First Principles Calculations

Crystal structures of bismuth oxychalcogenide compounds Bi2O2X and Bi2OX2 (X = S, Se, and Te).

scholarly journals First-principles study of nitrogen-doped nanographene as an efficient charge transport and nonlinear optical material

RSC Advances ◽  
2017 ◽  
Vol 7 (58) ◽  
pp. 36632-36643 ◽  
Author(s):  
Shabbir Muhammad ◽  
Aijaz Rasool Chaudhry ◽  
Ahmad Irfan ◽  
Abdullah G. Al-Sehemi
Keyword(s):  
Charge Transport ◽  
First Principles ◽  
Nonlinear Optical ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
Nitrogen Doped ◽  
First Principles Study ◽  
Efficient Charge ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

The prospective of nitrogen doped graphene (NDG) as useful nonlinear optical (NLO) and charge transport materials is explored using first principles methods.

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