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dc.contributor.authorSkelton, Jonathan Men
dc.contributor.authorPallipurath, Anuradha Ren
dc.contributor.authorLee, Taehoonen
dc.contributor.authorElliott, Stephenen
dc.identifier.citationAdvanced Functional Materials 24: 7291–7300. DOI: 10.1002/adfm.201401202en
dc.description.abstractPhase-change alloys are the functional materials at the heart of an emerging digital-storage technology. The GeTe-Sb2Te3 pseudo-binary systems, in particular the composition Ge2Sb2Te5 (GST), are one of a handful of materials which meet the unique requirements of a stable amorphous phase, rapid amorphous-to-crystalline phase transition, and significant contrasts in optical and electrical properties between material states. The properties of GST can be optimized by doping with p-block elements, of which Bi has interesting effects on the crystallisation kinetics and electrical properties. We have carried out a comprehensive simulational study of Bi-doped GST, looking at trends in behavior and properties as a function of dopant concentration. Our results reveal how Bi integrates into the host matrix, and provide insight into its enhancement of the crystallisation speed. We propose a straightforward explanation for the reversal of the charge-carrier sign beyond a critical doping threshold. We also investigate how Bi affects the optical properties of GST. The microscopic insight from this study may assist in the future selection of dopants to optimize the phase-change properties of GST, and also of other PCMs, and the general methods employed in this work should be applicable to the study of related materials, e.g. doped chalcogenide glasses.
dc.rightsAttribution 2.0 UK: England & Wales
dc.rightsCreative Commons Attribution License 2.0 UK
dc.titleAtomistic origin of the enhanced crystallisation speed and n-type conductivity in Bidoped Ge-Sb-Te phase-change materialsen
dc.description.versionThis is the final published version. It's also available from Wiley at
prism.publicationNameAdvanced Functional Materialsen
dc.rioxxterms.funderEngineering and Physical Sciences Research Council
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idEPSRC (EP/I018050/1)

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Attribution 2.0 UK: England & Wales
Except where otherwise noted, this item's licence is described as Attribution 2.0 UK: England & Wales