Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials

By S. Caravati, M. Bernasconi, T. Kuehne, Matthias Krack, Michele Parrinello. 2007

352 citations recorded by the source corpus.

Chalcogenide alloys are materials of interest for optical recording and nonvolatile memories. We perform ab initio molecular dynamics simulations aiming at shading light onto the structure of amorphous Ge2Sb2Te5 (GST), the prototypical material in this class. First principles simulations show that amorphous GST obtained by quenching from the liquid phase displays two types of short range order. One third of Ge atoms are in a tetrahedral environment while the remaining Ge, Sb, and Te atoms display a defective octahedral environment, reminiscent of cubic crystalline GST.

Subfields: Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/7cf2f5e82c4240c190c022d917e0558eb95bb64b

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In Electronic, Optical and Magnetic Materials

1. Stephen R. Williams
2. C. Royall

In Materials Chemistry

1. Stephen R. Williams
2. C. Royall

Citations in the corpus

• The role of local structure in dynamical arrest (2014, result): “7 shows a range of atomic ring sizes, unlike Ge2Sb2Te5 in which the rings are small and the number of cavities reaches 11% [5].”