Spatial correlation at the boson peak frequency in amorphous materials

The Boson peak (BP), an excess of vibrational density of states, is ubiquitous for amorphous materials and is believed to hold the key to understanding the dynamics of glass and glass transition. Previous studies have established an energy scale for the BP, which is ~ 1-10 meV or ~ THz in frequency. However, so far, little is known about the momentum dependence or spatial correlation of the BP. Here, we report the observation of the BP in model Zr-Cu-Al metallic glasses over a wide range of momentum transfer, using inelastic neutron scattering, heat capacity, Raman scattering measurements, and molecular dynamics (MD) simulations. The BP energy is largely dispersionless; however, the BP intensity is found to scale with the static structure factor. Additional MD simulations with a generic Lennard-Jones potential confirm the same. Based on these results, an analytical expression for the dynamic structure factor is formulated for the BP excitation. Further analysis of the simulated disordered structures suggests that the BP is related to local structure fluctuations (e.g., in shear strain). Our results offer insights into the nature of the BP and provide guidance for the development of theories of amorphous materials.

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Publication Details

Journal
Nature Communications
Published
2025-12-17
DOI
https://doi.org/10.1038/s41467-025-67574-y
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.00

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article

Spatial correlation at the boson peak frequency in amorphous materials

Ling Fan, Xiyang Li, Xun‐Li Wang, Huaping Zhang et al.
Nature Communications
Material Dynamics and Properties
article

Spatial correlation at the boson peak frequency in amorphous materials

Ling Fan, Xiyang Li, Xun‐Li Wang, Huaping Zhang, Si Lan, D. L. Abernathy, M. Z. Li, Chiying Hu
article en

Abstract

The Boson peak (BP), an excess of vibrational density of states, is ubiquitous for amorphous materials and is believed to hold the key to understanding the dynamics of glass and glass transition. Previous studies have established an energy scale for the BP, which is ~ 1-10 meV or ~ THz in frequency. However, so far, little is known about the momentum dependence or spatial correlation of the BP. Here, we report the observation of the BP in model Zr-Cu-Al metallic glasses over a wide range of momentum transfer, using inelastic neutron scattering, heat capacity, Raman scattering measurements, and molecular dynamics (MD) simulations. The BP energy is largely dispersionless; however, the BP intensity is found to scale with the static structure factor. Additional MD simulations with a generic Lennard-Jones potential confirm the same. Based on these results, an analytical expression for the dynamic structure factor is formulated for the BP excitation. Further analysis of the simulated disordered structures suggests that the BP is related to local structure fluctuations (e.g., in shear strain). Our results offer insights into the nature of the BP and provide guidance for the development of theories of amorphous materials.

Nature CommunicationsVol. 17(1)
Oak Ridge National Laboratory (US), City University of Hong Kong (HK), Chinese Academy of Sciences (CN), Nanjing University of Science and Technology (CN), HKUST Shenzhen Research Institute (CN), City University of Hong Kong, Shenzhen Research Institute (CN), Songshan Lake Materials Laboratory (CN), Nanjing Xiaozhuang University (CN), Institute for Advanced Study (DE), Nano and Advanced Materials Institute (CN), Institute of Physics (CN), National Laboratory for Superconductivity (CN), Renmin University of China (CN)
U.S. Department of Energy, City University of Hong Kong, National Natural Science Foundation of China, Basic Energy Sciences, Oak Ridge National Laboratory
Openalex Percentile: Top 66%
Material Dynamics and Properties
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