The Boson Peak in Amorphous Silica: Results from Molecular Dynamics Computer Simulations

Abstract

We investigate a prominent vibrational feature in amorphous silica, the so-called boson peak, by means of molecular dynamics computer simulations. The dynamic structure factor S(q,nu) in the liquid, as well as in the glass state, scales roughly with temperature, in agreement with the harmonic approximation. By varying the size of the system and the masses of silicon and oxygen we show that the excitations giving rise to the boson peak are due to the coupling to transverse acoustic modes.

6 pages of Latex, 3 figures, uses aipproc.sty; to appear in proceedings of "Neutrons and Numerical Methods" Grenoble, Dec. 1998, Ed. H.G. Buttner et al