Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

Jiangtao Wu; Yifei Lin; Mingfang Shu; Yifei Liu; Yupeng Ma; Gaoting Lin; Cuiping Zhang; Pengfei Jiao; Fengfeng Zhu; Yan Wu; Russell A. Ewings; Helen C. Walker; Guochu Deng; Songxue Chi; Shengwei Jiang; Matteo Baggioli; Min Jin; Haozhe Wang; Weiwei Xie; Tian Ran Wei; Jiong Yang; Xun Shi; Jie Ma

doi:10.1038/s41467-024-50249-5

Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

Jiangtao Wu, Yifei Lin, Mingfang Shu, Yifei Liu, Yupeng Ma, Gaoting Lin, Cuiping Zhang, Pengfei Jiao, Fengfeng Zhu, Yan Wu, Russell A. Ewings, Helen C. Walker, Guochu Deng, Songxue Chi, Shengwei Jiang, Matteo Baggioli, Min Jin, Haozhe Wang, Weiwei Xie, Tian Ran WeiJiong Yang, Xun Shi, Jie Ma

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Abstract

Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

Original language	English
Article number	6248
Journal	Nature Communications
Volume	15
Issue number	1
DOIs	https://doi.org/10.1038/s41467-024-50249-5
State	Published - Dec 2024

Funding

This work is supported by National Key Research and Development Program of China (Grant No. 2022YFA1402702), the National Science Foundation of China (Nos. T2122013, U2032213, 52272006), and the interdisciplinary program Wuhan National High Magnetic Field Center (Grant No. WHMFC 202122). M.B. acknowledges the support of the Shanghai Municipal Science and Technology Major Project (Grant No.2019SHZDZX01) and the sponsorship from the Yangyang Development Fund. J. Yang acknowledges the support of the Key Research Project of Zhejiang Lab (No. 2021PE0AC02). M.J. acknowledges the support of the Space Application System of China Manned Space Program. M.F.S thanks the support from Guangdong Provincial Key Laboratory of Extreme Conditions (Grant No. 2023B1212010002). M.B. acknowledges the support of the Shanghai Municipal Science and Technology Major Project (Grant No.2019SHZDZX01) and the sponsorship from the Yangyang Development Fund. The single crystal XRD work at MSU was supported by U.S.DOE-BES under Contract DE-SC0023648. Experiments at the ISIS Neutron and Muon Source were supported by a beamtime allocation RB1920240 from the Science and Technology Facilities Council. Data is available here: https://doi.org/10.5286/ISIS.E.RB1920240.

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10.1038/s41467-024-50249-5

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Wu, J., Lin, Y., Shu, M., Liu, Y., Ma, Y., Lin, G., Zhang, C., Jiao, P., Zhu, F., Wu, Y., Ewings, R. A., Walker, H. C., Deng, G., Chi, S., Jiang, S., Baggioli, M., Jin, M., Wang, H., Xie, W., ... Ma, J. (2024). Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals. Nature Communications, 15(1), Article 6248. https://doi.org/10.1038/s41467-024-50249-5

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title = "Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals",

abstract = "Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.",

author = "Jiangtao Wu and Yifei Lin and Mingfang Shu and Yifei Liu and Yupeng Ma and Gaoting Lin and Cuiping Zhang and Pengfei Jiao and Fengfeng Zhu and Yan Wu and Ewings, {Russell A.} and Walker, {Helen C.} and Guochu Deng and Songxue Chi and Shengwei Jiang and Matteo Baggioli and Min Jin and Haozhe Wang and Weiwei Xie and Wei, {Tian Ran} and Jiong Yang and Xun Shi and Jie Ma",

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year = "2024",

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Wu, J, Lin, Y, Shu, M, Liu, Y, Ma, Y, Lin, G, Zhang, C, Jiao, P, Zhu, F, Wu, Y, Ewings, RA, Walker, HC, Deng, G, Chi, S, Jiang, S, Baggioli, M, Jin, M, Wang, H, Xie, W, Wei, TR, Yang, J, Shi, X & Ma, J 2024, 'Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals', Nature Communications, vol. 15, no. 1, 6248. https://doi.org/10.1038/s41467-024-50249-5

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T1 - Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

AU - Wu, Jiangtao

AU - Lin, Yifei

AU - Shu, Mingfang

AU - Liu, Yifei

AU - Ma, Yupeng

AU - Lin, Gaoting

AU - Zhang, Cuiping

AU - Jiao, Pengfei

AU - Zhu, Fengfeng

AU - Wu, Yan

AU - Ewings, Russell A.

AU - Walker, Helen C.

AU - Deng, Guochu

AU - Chi, Songxue

AU - Jiang, Shengwei

AU - Baggioli, Matteo

AU - Jin, Min

AU - Wang, Haozhe

AU - Xie, Weiwei

AU - Wei, Tian Ran

AU - Yang, Jiong

AU - Shi, Xun

AU - Ma, Jie

PY - 2024/12

Y1 - 2024/12

N2 - Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

AB - Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

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Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

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