Physics – Condensed Matter – Materials Science
Scientific paper
2007-08-09
Applied Physics Letters 91, 171906 (2007)
Physics
Condensed Matter
Materials Science
6 pages, 10 figures including supplementary material
Scientific paper
10.1063/1.2801626
Chalcogenide alloys are materials of interest for optical recording and non-volatile 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.
Bernasconi Marco
Caravati Sebastiano
Krack Matthias
Kuehne T. D.
Parrinello Michele
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