Origin of the first sharp diffraction peak in the structure factor of disordered network-forming systems: Layers or voids?

被引:62
作者
Massobrio, C
Pasquarello, A
机构
[1] Inst Phys & Chim Mat Strasbourg, F-67037 Strasbourg, France
[2] Ecole Polytech Fed Lausanne, Inst Romand Rech Numer Phys Mat, PPH Ecublens, CH-1015 Lausanne, Switzerland
关键词
D O I
10.1063/1.1365108
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
The origin of the first sharp diffraction peak (FSDP) in the total structure factor of disordered network-forming glasses and liquids is frequently interpreted either as resulting from crystalline-like layers or from correlations between basic structural units (clusters) and interstitial voids. By applying appropriate criteria to configurations of liquid SiO2 and GeSe2 obtained by first-principles molecular dynamics, we find that neither interpretation holds. Despite the appearance of a FSDP in both liquids, there is no evidence for the occurrence of crystalline-like layers. By contrast, cluster-void correlations do not only occur for these liquids, but also for a model system in which the FSDP is absent. (C) 2001 American Institute of Physics.
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页码:7976 / 7979
页数:4
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