Absence of charge-charge correlations at intermediate-range distances in disordered network-forming materials

被引:24
|
作者
Massobrio, C
Pasquarello, A
机构
[1] Inst Phys & Chim Mat Strasbourg, F-67034 Strasbourg 2, France
[2] Ecole Polytech Fed Lausanne, ITP, CH-1015 Lausanne, Switzerland
[3] PHB Ecublens, Inst Romand Rech Numer Phys Mat, CH-1015 Lausanne, Switzerland
来源
PHYSICAL REVIEW B | 2003年 / 68卷 / 02期
关键词
D O I
10.1103/PhysRevB.68.020201
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Applying a first-principles scheme to liquid GeSe(4), we show that the charge-charge structure factor does not present any feature at the location of the first sharp diffraction peak (FSDP), despite a clear FSDP in the concentration-concentration structure factor S(CC)(k). The origin of this effect is assigned in part to the finite extent of the electron density and in part to electron rearrangements. Our result provides evidence in favor of the postulate that, in binary network-forming systems, charge-charge correlations are absent on intermediate-range length scales. A FSDP in the S(CC)(k) then signals the occurrence of structural defects.
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