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

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

1999-01-18

arxiv.org/abs/cond-mat/9901162v1

p. 136 in "Proceedings of "Neutrons and Numerical Methods"; Eds. M.R. Johnson et al.; AIP conference Proceedings 479, (AIP, Wo

Physics

Condensed Matter

Statistical Mechanics

6 pages of Latex, 3 figures, uses aipproc.sty; to appear in proceedings of "Neutrons and Numerical Methods" Grenoble, Dec. 199

Scientific paper

10.1063/1.59458

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.

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