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dc.contributor.authorKonstantinou, Konstantinos
dc.contributor.authorElliott, Stephen R.
dc.contributor.authorAkola, Jaakko
dc.date.accessioned2023-02-01T14:01:11Z
dc.date.available2023-02-01T14:01:11Z
dc.date.created2022-10-10T10:34:02Z
dc.date.issued2022
dc.identifier.citationJournal of Materials Chemistry C. 2022, (17), .en_US
dc.identifier.issn2050-7526
dc.identifier.urihttps://hdl.handle.net/11250/3047777
dc.description.abstractWhile the amorphous state of a chalcogenide phase-change material is formed inside an electronic-memory device via Joule heating, caused by an applied voltage pulse, it is in the presence of excess field-induced electrons and holes. Here, hybrid density-functional-theory calculations for glassy Ge2Sb2Te5 demonstrate that extra electrons are trapped spontaneously, creating deep traps in the band gap. Hole self-trapping is also energetically favourable, producing states around midgap. The traps have a relatively low ionization energy, indicating that they can easily be thermally released. Near-linear triatomic Te–Ge/Sb–Te/Ge/Sb environments are the structural motifs where the extra electrons/holes are trapped inside the glass network, highlighting that the intrinsic axial bonds of octahedral-like sites in amorphous Ge2Sb2Te5 can serve as charge-trapping centres. Trapping of two electrons in a chain-like structure of connected triads results in breaking of some of these highly polarizable long bonds. These results establish the foundations of the origin of charge trapping in amorphous phase-change materials, and they may have important implications for our understanding of resistance drift in electronic-memory devices and of electronic-excitation-induced athermal melting.en_US
dc.language.isoengen_US
dc.publisherRoyal Society of Chemistryen_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/deed.no*
dc.titleInherent electron and hole trapping in amorphous phase-change memory materials: Ge<inf>2</inf>Sb<inf>2</inf>Te<inf>5</inf>en_US
dc.title.alternativeInherent electron and hole trapping in amorphous phase-change memory materials: Ge<inf>2</inf>Sb<inf>2</inf>Te<inf>5</inf>en_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.versionpublishedVersionen_US
dc.source.pagenumber0en_US
dc.source.volume10en_US
dc.source.journalJournal of Materials Chemistry Cen_US
dc.source.issue17en_US
dc.identifier.doi10.1039/d2tc00486k
dc.identifier.cristin2059965
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.qualitycode1


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