The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties such as specific heat, thermal conductivity, and superconductivity. In amorphous solids, structural disorder generates a number of poorly understood phenomena. Starting from an effective field theory description, which accounts for disorder in terms of momentum diffusion, we provide a unified theoretical description of the VDOS of amorphous materials. The theory provides an excellent description of the simulated/experimental VDOS of two quite different materials (silica glass and amorphous Si) with very few nontrivial fitting parameters. In particular, the sound speeds and diffusive linewidths obtained from the fits are fully consistent with the tabulated values from experiments. This semi-analytical approach solves the long-standing problem of describing and explaining the features of the VDOS and Raman spectra of amorphous solids in relation with the underlying acoustic dispersion relations and acoustic attenuation. It also shows that the boson peak is an altogether distinct phenomenon from van Hove peaks in glasses. Furthermore, it can be used in a reverse-engineered way to estimate phonon dispersion relations, acoustic attenuation and dynamic structure factors from a simple fitting of the measured VDOS using the presented model.
Unified theory of vibrational spectra in hard amorphous materials / M. Baggioli, A. Zaccone. - In: PHYSICAL REVIEW RESEARCH. - ISSN 2643-1564. - 2:1(2020 May), pp. 013267.1-013267.5. [10.1103/PhysRevResearch.2.013267]
Unified theory of vibrational spectra in hard amorphous materials
A. Zaccone
2020
Abstract
The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties such as specific heat, thermal conductivity, and superconductivity. In amorphous solids, structural disorder generates a number of poorly understood phenomena. Starting from an effective field theory description, which accounts for disorder in terms of momentum diffusion, we provide a unified theoretical description of the VDOS of amorphous materials. The theory provides an excellent description of the simulated/experimental VDOS of two quite different materials (silica glass and amorphous Si) with very few nontrivial fitting parameters. In particular, the sound speeds and diffusive linewidths obtained from the fits are fully consistent with the tabulated values from experiments. This semi-analytical approach solves the long-standing problem of describing and explaining the features of the VDOS and Raman spectra of amorphous solids in relation with the underlying acoustic dispersion relations and acoustic attenuation. It also shows that the boson peak is an altogether distinct phenomenon from van Hove peaks in glasses. Furthermore, it can be used in a reverse-engineered way to estimate phonon dispersion relations, acoustic attenuation and dynamic structure factors from a simple fitting of the measured VDOS using the presented model.File | Dimensione | Formato | |
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