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research article
Structure of liquid GexSe1-x at the stiffness threshold composition
1998
We investigate by first-principles molecular dynamics the structural properties of liquid GeSe4, i.e., GexSe1-x at x = 0.2. This composition is very close to the so-called stiffness threshold composition, at which dramatic changes in a series of experimental properties occur. The calculated total neutron structure factor is in very good agreement with experiment. The results show that liquid GeSe4 is a good prototype of a chemically ordered network. It consists of GeSe4 tetrahedra that are connected by either shared Se atoms or Se chains.
Type
research article
Authors
Publication date
1998
Published in
Volume
58
Issue
22
Start page
14661
End page
14664
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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