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 and Jie Ma ()
Additional contact information
Jiangtao Wu: Shanghai Jiao Tong University
Yifei Lin: Shanghai University
Mingfang Shu: Shanghai Jiao Tong University
Yifei Liu: Shanghai Jiao Tong University
Yupeng Ma: Shanghai Jiao Tong University
Gaoting Lin: Shanghai Jiao Tong University
Cuiping Zhang: Shanghai Jiao Tong University
Pengfei Jiao: Shanghai Jiao Tong University
Fengfeng Zhu: Chinese Academy of Sciences
Yan Wu: Oak Ridge National Laboratory
Russell A. Ewings: STFC Rutherford Appleton Laboratory
Helen C. Walker: STFC Rutherford Appleton Laboratory
Guochu Deng: Australian Nuclear Science and Technology Organisation
Songxue Chi: Oak Ridge National Laboratory
Shengwei Jiang: Shanghai Jiao Tong University
Matteo Baggioli: Shanghai Jiao Tong University
Min Jin: Shanghai Dianji University
Haozhe Wang: Michigan State University
Weiwei Xie: Michigan State University
Tian-Ran Wei: Shanghai Jiao Tong University
Jiong Yang: Shanghai University
Xun Shi: Shanghai Jiao Tong University
Jie Ma: Shanghai Jiao Tong University

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: 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.

Date: 2024
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DOI: 10.1038/s41467-024-50249-5

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