Spatial Correlation at the Boson Peak Frequency in Amorphous Materials

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 was found to scale with the static structure factor. Additional MD simulations with a generic Lennard-Jones potential confirmed the same. Based on these results, an analytical expression for the dynamic structure factor was 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 offered insights into the nature of the BP and provide guidance for the development of theories of amorphous materials.