The boson peak in amorphous silica: Results from molecular dynamics computer simulations

被引：6
|
作者：
Horbach, J [1 ]
Kob, W [1 ]
Binder, K [1 ]
机构：
[1] Univ Mainz, Inst Phys, D-55099 Mainz, Germany
来源：
NEUTRONS AND NUMERICAL METHODS-N(2)M | 1999年 / 479卷
关键词：
D O I：
10.1063/1.59458
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
引用
收藏
页码：136 / 141
页数：6
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