Densification effects on the Boson peak in vitreous silica: A molecular-dynamics study

Citation
P. Jund et R. Jullien, Densification effects on the Boson peak in vitreous silica: A molecular-dynamics study, J CHEM PHYS, 113(7), 2000, pp. 2768-2771
Citations number
37
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
7
Year of publication
2000
Pages
2768 - 2771
Database
ISI
SICI code
0021-9606(20000815)113:7<2768:DEOTBP>2.0.ZU;2-K
Abstract
We perform classical molecular-dynamics simulation to study the effect of d ensification on the vibrational spectrum of a model silica glass. We concen trate this study on the so-called Boson peak and compare our results, obtai ned from a direct diagonalization of the dynamical matrix, with experimenta l Raman data. We show that, upon densification, the position of the Boson p eak shifts towards higher frequencies while its magnitude decreases which i s in agreement with a recent experimental study. (C) 2000 American Institut e of Physics. [S0021-9606(00)50431-0].