The impact of densification on the boson peak and structure in vitreous silica

Abstract

Abstract Vitreous silica (v‐) has always been considered a reference case to which theories on disordered solid‐state materials are tested. One of the many features of these materials is the presence of the so‐called boson peak (BP), an emerging feature from atomic vibration in the THz region in which neutron and light inelastic scattering increases. This work investigates the effect of densification on the BP in v‐ using various densification approaches. Two methods of cold compression (densification at room temperature) and three methods of hot compression (compression at high temperatures) are employed and analyzed. The study has two main objectives: first, to examine how different densification techniques impact the structural and vibrational properties of silicate glass, and second, to assess the sensitivity of the BP to changes in pressure and structure. Our findings reveal a clear distinction in outcomes between the techniques used, indicating divergent effects on the glass structure. Furthermore, we establish a strong correlation between the height, area, and frequency of the BP and the Voronoi atomic volume (VAV) of Si and O atoms. This correlation suggests the potential of VAV as an effective descriptor for characterizing the BP phenomenon in silicate glass.