Reference : Universal amorphous-amorphous transition in GexSe100−x glasses under pressure
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/198838
Universal amorphous-amorphous transition in GexSe100−x glasses under pressure
English
Yildirim, Can [Université de Liège > Département de physique > Physique expérimentale des matériaux nanostructurés >]
Micoulaut, Matthieu [> >]
Boolchand, Punit [> >]
Kantor, Innokenty [> >]
Mathon, Olivier [> >]
Gaspard, Jean-Pierre mailto [Université de Liège > Département de physique > Département de physique >]
Irifune, Tetsuo [> >]
Raty, Jean-Yves mailto [Université de Liège > Département de physique > Physique expérimentale des matériaux nanostructurés >]
7-Jun-2016
Scientific Reports
Nature Publishing Group
6
Yes (verified by ORBi)
International
2045-2322
London
United Kingdom
[en] glasses ; high pressure ; ab initio ; rigidity
[en] Pressure induced structural modifications in vitreous GexSe100−x (where 10 ≤ x ≤ 25) are investigated using X-ray absorption spectroscopy (XAS) along with supplementary X-ray diffraction (XRD) experiments and ab initio molecular dynamics (AIMD) simulations. Universal changes in distances and angle distributions are observed when scaled to reduced densities. All compositions are observed to remain amorphous under pressure values up to 42 GPa. The Ge-Se interatomic distances extracted from XAS data show a two-step response to the applied pressure; a gradual decrease followed by an increase at around 15–20 GPa, depending on the composition. This increase is attributed to the metallization event that can be traced with the red shift in Ge K edge energy which is also identified by the principal peak position of the structure factor. The densification mechanisms are studied in details by means of AIMD simulations and compared to the experimental results. The evolution of bond angle distributions, interatomic distances and coordination numbers are examined and lead to similar pressure-induced structural changes for any composition.
SPIN
CECI ; Tier-1
Researchers ; Professionals
http://hdl.handle.net/2268/198838
10.1038/srep27317

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