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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). 2025: Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation, Chinese Physics B, 34(6): 066301. doi: 10.1088/1674-1056/adc36e
Citation: 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). 2025: Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation, Chinese Physics B, 34(6): 066301. doi: 10.1088/1674-1056/adc36e
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Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation

  • 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

  • Received Date: 03/03/2025
    Accepted Date: 20/03/2025
  • Fund Project:

    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).

  • PACS: 63.20.dk; 63.22.-m; 85.25.Dq; 42.55.Ye

  • 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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  • Mak K F, Lee C, Hone J, Shan J and Heinz T F 2010 Phys. Rev. Lett. 105 136805

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Xia Y, Han Z, Watanabe K, Taniguchi T, Shan J and Mak K F 2025 Nature 637 833

    Google Scholar Pub Med

    Du L, Huang Z, Zhang J, Ye F, Dai Q, Deng H, Zhang G and Sun Z 2024 Nat. Mater. 23 1179

    Google Scholar Pub Med

    Zhang S, Pei Y, Hu S, Wu N, Chen D, Lian C and Meng S 2023 Chin. Phys. Lett. 40 077502

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Saito R, Hung, N T, Yang T, Huang J, Liu H L, Gulo D P, Han S and Tong L 2024 Small 2308558

    Google Scholar Pub Med

    Belahmer Z, Bernier P, Firlej L, Lambert J M and Ribet M 1993 Phys. Rev. B 47 15980

    Google Scholar Pub Med

    Venezuela P, Lazzeri M and Mauri F 2011 Phys. Rev. B 84 035433

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Huang J, Guo H, Zhou L, Zhang S, Tong L, Saito R, Yang T and Zhang Z 2022 Phys. Rev. B 105 235401

    Google Scholar Pub Med

    Zhang Y, Liu R, Huang J, Hung N T, Saito R, Yang T and Zhang Z 2025 J. Raman Spectrosc. 56 316

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Zhang S, Mao N, Zhang N, Wu J, Tong L and Zhang J 2017 ACS Nano 11 10366

    Google Scholar Pub Med

    Hung N T, Huang J, Tatsumi Y, Yang T and Saito R 2024 Comput. Phys. Commun. 295 108967

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Deng Z X, Li Z B and Wang W L 2015 Chem. Phys. Lett. 637 26

    Google Scholar Pub Med

    Baroni S, de Gironcoli S, Dal Corso A and Giannozzi P 2001 Rev. Mod. Phys. 73 515

    Google Scholar Pub Med

    Noffsinger J, Giustino F, Malone B D, Park C H, Louie S G and Cohen M L 2010 Comput. Phys. Commun. 181 2140

    Google Scholar Pub Med

    Poncé S, Margine E R, Verdi C and Giustino F 2016 Comput. Phys. Commun. 209 116

    Google Scholar Pub Med

    Blöchl P E, Jepsen O and Andersen O K 1994 Phys. Rev. B 49 16223

    Google Scholar Pub Med

    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

    Google Scholar Pub Med

    Zhang Y, Guo H, Sun W, Sun H, Ali S, Zhang Z, Saito R and Yang T 2020 J. Raman Spectrosc. 51 1353

    Google Scholar Pub Med

    Livneh T and Spanier J E 2015 2D Mater. 2 035003

    Google Scholar Pub Med

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Anomalous lattice vibration in monolayer MoS2 induced by DUV laser: A first-principles investigation

  • Received Date: 03/03/2025
  • Accepted Date: 20/03/2025
Fund Project: 

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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