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dc.contributor.authorKonstantinou, Konstantinos
dc.contributor.authorMocanu, Felix C.
dc.contributor.authorLee, Tae-Hoon
dc.contributor.authorElliott, Stephen R.
dc.date.accessioned2020-07-10T15:06:53Z
dc.date.available2020-07-10T15:06:53Z
dc.date.issued2019-07-11
dc.date.submitted2018-11-30
dc.identifier.others41467-019-10980-w
dc.identifier.other10980
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/307837
dc.description.abstractAbstract: Understanding the relation between the time-dependent resistance drift in the amorphous state of phase-change materials and the localised states in the band gap of the glass is crucial for the development of memory devices with increased storage density. Here a machine-learned interatomic potential is utilised to generate an ensemble of glass models of the prototypical phase-change alloy, Ge2Sb2Te5, to obtain reliable statistics. Hybrid density-functional theory is used to identify and characterise the geometric and electronic structures of the mid-gap states. 5-coordinated Ge atoms are the local defective bonding environments mainly responsible for these electronic states. The structural motif for the localisation of the mid-gap states is a crystalline-like atomic environment within the amorphous network. An extra electron is trapped spontaneously by these mid-gap states, creating deep traps in the band gap. The results provide significant insights that can help to rationalise the design of multi-level-storage memory devices.
dc.languageen
dc.publisherNature Publishing Group UK
dc.subjectArticle
dc.subject/639/638/563/606
dc.subject/639/638/563/979
dc.subject/639/638/563/981
dc.subject/639/301/119/995
dc.subject/639/301/1005/1008
dc.subject/119/118
dc.subject/119
dc.subjectarticle
dc.titleRevealing the intrinsic nature of the mid-gap defects in amorphous Ge 2 Sb 2 Te 5
dc.typeArticle
dc.date.updated2020-07-10T15:06:52Z
prism.issueIdentifier1
prism.publicationNameNature Communications
prism.volume10
dc.identifier.doi10.17863/CAM.54932
dcterms.dateAccepted2019-06-03
rioxxterms.versionofrecord10.1038/s41467-019-10980-w
rioxxterms.versionVoR
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
dc.contributor.orcidKonstantinou, Konstantinos [0000-0003-1291-817X]
dc.contributor.orcidMocanu, Felix C. [0000-0001-6649-3029]
dc.identifier.eissn2041-1723


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