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Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation |
| Weidong Wang(王卫东)1, Renhui Liu(刘仁辉)2,3, Ye Zhang(张也)2,3, Huaihong Guo(郭怀红)1,†, Jianqi Huang(黄建啟)4,‡, Zhantong Liu(刘展彤)1, Heting Zhao(赵贺霆)1, Kai Wang(王凯)1, Bo Zhao(赵波)1, and Teng Yang(杨腾)2,3,§ |
1 College of Sciences, Liaoning Petrochemical University, Fushun 113001, China;
2 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences (CAS), Shenyang 110016, China;
3 School of Material Science and Engineering, University of Science and Technology of China, Shenyang 110016, China;
4 Liaoning Academy of Materials, Shenyang 110167, China |
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Abstract MoS$_2$ monolayer, as a highly promising two-dimensional semiconducting material for electronic and optoelectronic applications, exhibits deep-ultraviolet (DUV) laser-induced anomalous lattice dynamics as revealed by Raman spectroscopy. Remarkably, not only the Raman intensity of many second-order Raman peaks but also the intensity ratio between the first-order modes $E'$ and $A_{1}'$ exhibits a non-monotonic behavior that depends on laser energy. Moreover, there are significant inconsistencies in the literature regarding the assignments of these second-order Raman modes. In this work, we perform a thorough exploration of the anomalous lattice dynamics and conduct a renewed assignment of the numerous double resonant Raman modes of MoS$_2$ monolayer. At three laser energies ($E_{\rm{L}} = 2.33$, 3.50, and 4.66 eV) spanning from the visible to the ultraviolet and further into the DUV region, the calculated double-resonance Raman spectra correlate reasonably well with the experimental ones in terms of both peak positions and relative intensities. We confirm that the $P_{\rm{1}}$ peak at $\sim 450 $ cm$^{-1}$ represents the second-order longitudinal acoustic (2$LA$) overtone mode. Each of the $P_{{i}}$ ($i = 1$, 2, $\ldots$, 7) peaks has multiple contributions from two phonons with distinct $q$ wavevectors. Our calculations further reveal that the DUV laser-induced anomalous lattice dynamics stems from the quantum interference effect among different Raman scattering channels.
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Received: 03 March 2025
Revised: 20 March 2025
Accepted manuscript online: 21 March 2025
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PACS:
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63.20.dk
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(First-principles theory)
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63.22.-m
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(Phonons or vibrational states in low-dimensional structures and nanoscale materials)
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85.25.Dq
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(Superconducting quantum interference devices (SQUIDs))
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42.55.Ye
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(Raman lasers)
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| Fund: Project supported by the Strategic Priority Research Program of CAS (Grant No. XDB0460000), the National Natural Science Foundation of China (Grant Nos. 12404213, 52031014, and 51702146), and the National Key Research and Development Program of China (Grant No. 2022YFA1203900). |
Corresponding Authors:
Huaihong Guo, Jianqi Huang, Teng Yang
E-mail: hhguo@alum.imr.ac.cn;jqhuang@lam.ln.cn;yanghaiteng@msn.com
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Cite this article:
Weidong Wang(王卫东), Renhui Liu(刘仁辉), Ye Zhang(张也), Huaihong Guo(郭怀红), Jianqi Huang(黄建啟), Zhantong Liu(刘展彤), Heting Zhao(赵贺霆), Kai Wang(王凯), Bo Zhao(赵波), and Teng Yang(杨腾) Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation 2025 Chin. Phys. B 34 066301
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[1] Mak K F, Lee C, Hone J, Shan J and Heinz T F 2010 Phys. Rev. Lett. 105 136805
[2] Trainer D J, Wang B K, Bobba F, Samuelson N, Xi X, Zasadzinski J, Nieminen J, Bansil A and Iavarone M 2020 ACS Nano 14 2718
[3] Xia Y, Han Z, Watanabe K, Taniguchi T, Shan J and Mak K F 2025 Nature 637 833
[4] Du L, Huang Z, Zhang J, Ye F, Dai Q, Deng H, Zhang G and Sun Z 2024 Nat. Mater. 23 1179
[5] Zhang S, Pei Y, Hu S, Wu N, Chen D, Lian C and Meng S 2023 Chin. Phys. Lett. 40 077502
[6] Liu H, Guo H, Yang T, Zhang Z, Kumamoto Y, Shen C, Hsu Y, Saito R and Kawata S 2015 Phys. Chem. Chem. Phys. 17 14561
[7] Saito R, Hung, N T, Yang T, Huang J, Liu H L, Gulo D P, Han S and Tong L 2024 Small 2308558
[8] Belahmer Z, Bernier P, Firlej L, Lambert J M and Ribet M 1993 Phys. Rev. B 47 15980
[9] Venezuela P, Lazzeri M and Mauri F 2011 Phys. Rev. B 84 035433
[10] QR2-CODE http://www.qr2-code.com/
[11] Liu R, Li L H, Zhang Y, Huang J, Lin M L, Hung N T, Wang Z, Zhang Z, Saito R, Tan P H and Yang T 2024 Phys. Rev. B 110 245422
[12] Huang J, Guo H, Zhou L, Zhang S, Tong L, Saito R, Yang T and Zhang Z 2022 Phys. Rev. B 105 235401
[13] Zhang Y, Liu R, Huang J, Hung N T, Saito R, Yang T and Zhang Z 2025 J. Raman Spectrosc. 56 316
[14] Guo H, Yang T, Yamamoto M, Zhou L, Ishikawa R, Ueno K, Tsukagoshi K, Zhang Z, Dresselhaus M S and Saito R 2015 Phys. Rev. B 91 205415
[15] Zhang S, Mao N, Zhang N, Wu J, Tong L and Zhang J 2017 ACS Nano 11 10366
[16] Hung N T, Huang J, Tatsumi Y, Yang T and Saito R 2024 Comput. Phys. Commun. 295 108967
[17] Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti G L, Cococcioni M, Dabo I, et al. 2009 J. Phys.: Condens. Matter 21 395502
[18] Deng Z X, Li Z B and Wang W L 2015 Chem. Phys. Lett. 637 26
[19] Baroni S, de Gironcoli S, Dal Corso A and Giannozzi P 2001 Rev. Mod. Phys. 73 515
[20] Noffsinger J, Giustino F, Malone B D, Park C H, Louie S G and Cohen M L 2010 Comput. Phys. Commun. 181 2140
[21] Poncé S, Margine E R, Verdi C and Giustino F 2016 Comput. Phys. Commun. 209 116
[22] Blöchl P E, Jepsen O and Andersen O K 1994 Phys. Rev. B 49 16223
[23] Liu H L, Yang T, Tatsumi Y, Zhang Y, Dong B, Guo H, Zhang Z D, Kumamoto Y, Li M Y, Li L J, Saito R and Kawata S 2018 Sci. Rep. 8 11398
[24] Zhang Y, Guo H, Sun W, Sun H, Ali S, Zhang Z, Saito R and Yang T 2020 J. Raman Spectrosc. 51 1353
[25] Livneh T and Spanier J E 2015 2D Mater. 2 035003 |
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