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).

Effects of differential stress on the structure and Raman spectra of calcite from first-principles calculations

2016 ◽  
Vol 101 (8) ◽  
pp. 1892-1897 ◽  
Author(s):  
Lei Liu ◽  
Chaojia Lv ◽  
Chunqiang Zhuang ◽  
Li Yi ◽  
Hong Liu ◽  
...  
Keyword(s):  
Raman Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Differential Stress

Theoretical assessment of Raman spectra on MXene Ti2C: from monolayer to bilayer

2021 ◽  
Author(s):  
Haiming Huang ◽  
Weiliang Wang ◽  
Shaolin Zhang
Keyword(s):  
Raman Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Spectra Properties ◽  
Theoretical Assessment ◽  
532 Nm

The structural, vibrational and Raman spectra properties of monolayer and bilayer Ti2C excited by two commonly used laser lines (532 nm and 633 nm) are investigated by first principles calculations...

First-principles calculations of phonons and Raman spectra in the Hg3Te2Cl2 crystals

2016 ◽  
Vol 669 ◽  
pp. 161-166 ◽  
Author(s):  
O.V. Bokotey ◽  
K.E. Glukhov ◽  
I.I. Nebola ◽  
A.A. Bokotey
Keyword(s):  
Raman Spectra ◽  
First Principles ◽  
First Principles Calculations
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