Universal amorphous-amorphous transition in GexSe100-x glasses under pressure

Research output: Contribution to journalJournal article – Annual report year: 2016Researchpeer-review



  • Author: Yildirim, Can

    Universite de Liege, Belgium

  • Author: Micoulaut, Matthieu

    Sorbonne Universités, France

  • Author: Boolchand, Punit

    University of Cincinnati, United States

  • Author: Kantor, Innokenty

    Neutrons and X-rays for Materials Physics, Department of Physics, Technical University of Denmark, Fysikvej, 2800, Kgs. Lyngby, Denmark

  • Author: Mathon, Olivier

    European Synchrotron Radiation Facility, France

  • Author: Gaspard, Jean-Pierre

    Universite de Liege, Belgium

  • Author: Irifune, Tetsuo

    Ehime University, Japan

  • Author: Raty, Jean-Yves

    Universite de Liege, Belgium

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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.
Original languageEnglish
Article number27317
JournalScientific Reports
Number of pages11
Publication statusPublished - 2016

Bibliographical note

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    Research areas

  • germanium-selenium glasses, metallization event, germanium K edge energy, bond angle distribution, amorphous-amorphous transformation

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