DUV Double-Resonant Raman Spectra and Interference Effect in Graphene: First-Principles Calculations
文献类型：期刊论文
| 作者 | Zhang, Ye1,2; Liu, Renhui1,2; Huang, Jianqi3; Hung, Nguyen Tuan4; Saito, Riichiro5,6; Yang, Teng1,2; Zhang, Zhidong1,2 |
| 刊名 | JOURNAL OF RAMAN SPECTROSCOPY
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| 出版日期 | 2025-01-13 |
| 页码 | 8 |
| ISSN号 | 0377-0486 |
| DOI | 10.1002/jrs.6768 |
| 通讯作者 | Huang, Jianqi(jqhuang@lam.ln.cn) ; Yang, Teng(yanghaiteng@msn.com) |
| 英文摘要 | We calculate double-resonance Raman (DRR) spectra of monolayer graphene by first-principles density functional calculation, for wide laser excitation energies from the near-infrared (1.58 eV) to the deep-ultraviolet (DUV, 5.41 eV) region. When laser excitation energy, EL$$ {E}_{\mathrm{L}} $$, goes into the DUV region, Raman peak wavenumber for G & lowast;$$ {}<^>{\ast } $$ band switches from red-shift to blue-shift and for 2D '$$ {}<^>{\prime } $$ band switches from red-shift to constant, in contrast to the continuous blue-shift of G '$$ {}<^>{\prime } $$ band. Raman intensity of the three bands generally decreases with increasing EL$$ {E}_{\mathrm{L}} $$, except for EL$$ {E}_{\mathrm{L}} $$ around 4.08 eV where Raman intensity diverges due to van Hove singularity of electron density of states. The combined two-phonon modes change with EL$$ {E}_{\mathrm{L}} $$ for both G '$$ {}<^>{\prime } $$ and G & lowast;$$ {}<^>{\ast } $$ bands (e.g., from 2LO to 2TO and back to 2LO for G '$$ {}<^>{\prime } $$ and from LA + LO/TO to TA + LO/TO for G & lowast;$$ {}<^>{\ast } $$) but remain 2LO for 2D '$$ {}<^>{\prime } $$ band. Further, the dominant DRR scattering process of G '$$ {}<^>{\prime } $$ band changes from the electron-hole (eh$$ eh $$ or he$$ he $$) scattering processes to the ee$$ ee $$ scattering processes as EL$$ {E}_{\mathrm{L}} $$ goes into the DUV region, since the Dirac energy bands become asymmetric between pi$$ \pi $$ and pi & lowast;$$ {\pi}<^>{\ast } $$ band that suppresses the eh$$ eh $$ process and the Raman intensity. Another factor to suppress the Raman intensity is the quantum interference effect between four scattering processes (eh,he,ee,hh$$ eh, he, ee, hh $$) which changes from constructive to destructive interference and finally to no interference with increasing EL$$ {E}_{\mathrm{L}} $$. We calculate EL$$ {E}_{\mathrm{L}} $$-dependent Raman tensor of the three bands and polarized Raman spectra, which further support the interference effect. The calculated results are directly compared and consistent with the experimental results. |
| 资助项目 | National Natural Science Foundation of China ; National Key R&D Program of China[2022YFA1203900] ; JSPS KAKENHI grant[JP22H00283] ; Ministry of Education (MOE), Taiwan ; Frontier Research Institute for Interdisciplinary Sciences, Tohoku University ; [12404213] ; [52031014] |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:001395475700001 |
| 出版者 | WILEY |
| 资助机构 | National Natural Science Foundation of China ; National Key R&D Program of China ; JSPS KAKENHI grant ; Ministry of Education (MOE), Taiwan ; Frontier Research Institute for Interdisciplinary Sciences, Tohoku University |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Huang, Jianqi; Yang, Teng |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang, Peoples R China 3.Liaoning Acad Mat, Shenyang, Peoples R China 4.Tohoku Univ, Frontier Res Inst Interdisciplinary Sci, Sendai, Japan 5.Natl Taiwan Normal Univ, Dept Phys, Taipei, Taiwan 6.TOHOKU UNIV, DEPT PHYS, SENDAI, Japan |
| 推荐引用方式 GB/T 7714 | Zhang, Ye,Liu, Renhui,Huang, Jianqi,et al. DUV Double-Resonant Raman Spectra and Interference Effect in Graphene: First-Principles Calculations[J]. JOURNAL OF RAMAN SPECTROSCOPY,2025:8. |
| APA | Zhang, Ye.,Liu, Renhui.,Huang, Jianqi.,Hung, Nguyen Tuan.,Saito, Riichiro.,...&Zhang, Zhidong.(2025).DUV Double-Resonant Raman Spectra and Interference Effect in Graphene: First-Principles Calculations.JOURNAL OF RAMAN SPECTROSCOPY,8. |
| MLA | Zhang, Ye,et al."DUV Double-Resonant Raman Spectra and Interference Effect in Graphene: First-Principles Calculations".JOURNAL OF RAMAN SPECTROSCOPY (2025):8. |
入库方式： OAI收割
来源：金属研究所
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