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Keywords:

  • phase change materials;
  • diluted magnetic semiconductors;
  • ab initio simulations
Thumbnail image of graphical abstract

Ab initio simulation of the transition from the crystalline to the amorphous phase of a phase-change material doped with Fe impurities. The structural and magnetic properties of both phases are studied and a link is provided between the magnetic contrast recently observed in these materials and the drastic change in local order which occurs during amorphization.