CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
First-principles investigation in the Raman and infrared spectra of sp(3) carbon allotropes
Bai, Y; Zhao, XY; Li, TW; Lv, ZL; Lv, SJ; Han, H; Yin, YF; Wang, H; hanhanfudan@gmail.com; nkxirainbow@gmail.com
2014
Source PublicationCARBON
ISSN0008-6223
Volume78Pages:70—78
AbstractThe Raman and infrared intensities of Bct-C4, C-carbon, F-carbon, M-carbon, O-carbon, P-carbon, T12, W-carbon, X-carbon and Z-carbon are calculated based on the density-functional theory and two discoveries are found. Firstly, their Raman peaks are distributed into two regions: from 600 to 1150 cm(-1) and from 1150 to 1450 cm(-1). As the Raman peaks of diamond and graphite are above 1300 cm(-1), great attention should be paid between 600 and 1150 cm(-1) in experiments. Secondly, differently from diamond, all of these newly proposed structures have infrared active modes. This suggests that infrared spectrum may give valuable information about the crystal structure of cold-compressed graphite. (C) 2014 Elsevier Ltd. All rights reserved.
KeywordVibrational Properties Graphene Graphite Spectroscopy Scattering Crystal Diamond Intensity Nanotubes Phase
Indexed BySCI
Language英语
WOS IDWOS:000341463900008
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14142
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorhanhanfudan@gmail.com; nkxirainbow@gmail.com
Recommended Citation
GB/T 7714
Bai, Y,Zhao, XY,Li, TW,et al. First-principles investigation in the Raman and infrared spectra of sp(3) carbon allotropes[J]. CARBON,2014,78:70—78.
APA Bai, Y.,Zhao, XY.,Li, TW.,Lv, ZL.,Lv, SJ.,...&nkxirainbow@gmail.com.(2014).First-principles investigation in the Raman and infrared spectra of sp(3) carbon allotropes.CARBON,78,70—78.
MLA Bai, Y,et al."First-principles investigation in the Raman and infrared spectra of sp(3) carbon allotropes".CARBON 78(2014):70—78.
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