Reference : Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity
Micoulaut, M. [> > > >]
Raty, Jean-Yves mailto [Université de Liège - ULiège > Département de physique > Physique de la matière condensée]
Otjacques, C. [> > > >]
Bichara, C. [> > > >]
Physical Review. B, Condensed Matter and Materials Physics
American Physical Society
174206 (10 pp.)-174206 (10 pp.)174206 (10 pp.)
Yes (verified by ORBi)
[en] Theoretical or Mathematical/ ab initio calculations ; amorphous state ; antimony compounds ; germanium compounds ; molecular dynamics method ; phase change materials ; phase diagrams ; shear modulus/ Maxwell rigidity ; nonvolatile memory devices ; phase-change random access memories ; first-principles molecular-dynamics simulations ; phase diagram ; amorphous phase-change materials ; GeSbTe/ A8140J Elasticity and anelasticity A6220D Elasticity, elastic constants A8130D Phase diagrams of other materials A6140 Structure of amorphous, disordered and polymeric materials A6185 Modelling and computer simulation of solid structure/ GeSbTe/ss Ge/ss Sb/ss Te/ss
[en] Phase-change materials (PCMs) are the subject of considerable interest because they have been recognized as potential active layers for nonvolatile memory devices, known as phase-change random access memories. By analyzing first-principles molecular-dynamics simulations we develop a method for the enumeration of mechanical constraints in the amorphous phase and show that the phase diagram of the most popular system (Ge-Sb-Te) can be split into two compositional regions having a well-defined mechanical character: a tellurium rich flexible phase and a stressed rigid phase that encompasses the known PCMs. This sound atomic scale insight should open new avenues for the understanding of PCMs and other complex amorphous materials from the viewpoint of rigidity.
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