Phonons in supercooled liquids: a possible explanation for the Boson Peak

Abstract

Glasses are amorphous solids, in the sense that they display elastic behaviour. In crystals, elasticity is associated with phonons, quantized sound-wave excitations. Phonon-like excitations exist also in glasses at very high frequencies (THz), and they remarkably persist into the supercooled liquid. A universal feature of these amorphous systems is the Boson peak: the vibrational density of states $g(\omega)$ has an excess over the Debye (squared frequency) law, seen as a peak in $g(\omega)/\omega^2$. We claim that this peak is the signature of a phase transition in the space of the stationary points of the energy, from a minima-dominated phase (with phonons) at low energy to a saddle-point dominated phase (without phonons). Here, by studying the spectra of inherent structures (local minima of the potential energy), we show that this is the case in a realistic glass model: the Boson peak moves to lower frequencies on approaching the phonon-saddle transition and its height diverges at the critical point. The numerical results agree with Euclidean Random Matrix Theory predictions on the existence of a sharp phase transition between an amorphous elastic phase and a phonon-free one.