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research article

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

Massobrio, C.
•
Pasquarello, Alfredo  
2003
Physical Review B

Applying a first-principles scheme to liquid GeSe4, 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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Type
research article
DOI
10.1103/PhysRevB.68.020201
Web of Science ID

WOS:000185229500004

Author(s)
Massobrio, C.
Pasquarello, Alfredo  
Date Issued

2003

Published in
Physical Review B
Volume

68

Issue

2

Article Number

020201

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43449
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