First-principles calculation of vibrational Raman spectra of tetrahedral amorphous carbon

2008 ◽  
Vol 403 (19-20) ◽  
pp. 3559-3562 ◽  
Author(s):  
Li Niu ◽  
Jiaqi Zhu ◽  
Wei Gao ◽  
Aiping Liu ◽  
Xiao Han ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Amorphous Carbon ◽  
First Principles ◽  
First Principles Calculation ◽  
Tetrahedral Amorphous Carbon

Raman spectra of nitrogen-doped tetrahedral amorphous carbon from first principles

2009 ◽  
Vol 54 (23) ◽  
pp. 4376-4380 ◽  
Author(s):  
Li Niu ◽  
JiaQi Zhu ◽  
Wei Gao ◽  
Xiao Han ◽  
ShanYi Du
Keyword(s):  
Raman Spectra ◽  
Amorphous Carbon ◽  
First Principles ◽  
Nitrogen Doped ◽  
Tetrahedral Amorphous Carbon

Influence of Film Thickness on Intrinsic Growth Stress and Raman Evaluation of Tetrahedral Amorphous Carbon Films

2005 ◽  
Vol 475-479 ◽  
pp. 3627-3630
Author(s):  
Jia Qi Zhu ◽  
Jie Cai Han ◽  
Song He Meng ◽  
Xiao Dong He ◽  
Manlin Tan ◽  
...  
Keyword(s):  
Film Thickness ◽  
Raman Spectra ◽  
Amorphous Carbon ◽  
Carbon Films ◽  
Growth Stress ◽  
Intrinsic Stress ◽  
Vacuum Arc ◽  
Tetrahedral Amorphous Carbon ◽  
Filtered Cathodic Vacuum Arc ◽  
P Type

To investigate the effects of film thickness on Raman characterization and intrinsic stress of tetrahedral amorphous carbon and ascertain the correlations between stress and Raman spectra, the ta-C films with different film thickness were deposited on the polished P-type (100) c-silicon substrate with the same conditions by the filtered cathodic vacuum arc technology. The film thickness was measured by the surface profiler and the atomic force microscope; stress was calculated according to the curvature of the stress samples examined by the surface profiler; the microstructure of the films was characterized by the Ramanscope. It has been shown that the stress drops down continuously and the dropping rate turns mild with the increase of film thickness. When the film thickness surpasses 30 nm, the compressive stress is kept at less than 5 GPa. The intensity of the first and second order peak of the c-Si substrate in the visible Raman spectra gradually depresses with the increase of thickness. However, the FWHM is minimal and the maximal intensity is highest from 50 nm to 80 nm, accordingly the clearest Raman signals can be acquired in this scale. Additionally, the position of the asymmetric broad peak gradually shifts towards the lower wavenumber with the increase of thickness and the decease of intrinsic stress.

scholarly journals First principles studies of nitrogen doped tetrahedral amorphous carbon

2011 ◽  
Vol 60 (2) ◽  
pp. 027104
Author(s):  
Ma Guo-Jia ◽  
Zhu Jia-Qi ◽  
Gong Shui-Li ◽  
Gao Wei
Keyword(s):  
Amorphous Carbon ◽  
First Principles ◽  
Nitrogen Doped ◽  
Tetrahedral Amorphous Carbon

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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