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dc.contributor.authorKalikka, Janne
dc.contributor.authorAkola, Jaakko
dc.contributor.authorLarrucea, Julen
dc.contributor.authorJones, R.O.
dc.date.accessioned2016-02-15T05:57:41Z
dc.date.available2016-02-15T05:57:41Z
dc.date.issued2012
dc.identifier.citationKalikka, J., Akola, J., Larrucea, J., & Jones, R. O. (2012). Nucleus-driven crystallization of amorphous Ge2Sb2Te5: A density functional study. <em>Physical Review B</em>, 86 (14). <a href="http://dx.doi.org/10.1103/PhysRevB.86.144113">doi:10.1103/PhysRevB.86.144113</a>
dc.identifier.otherTUTKAID_55735
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/48763
dc.description.abstractEarly stages of nucleus-driven crystallization of the prototype phase change material Ge2Sb2Te5 have been studied by density functional/molecular dynamics simulations for amorphous samples (460 and 648 atoms) at 500, 600, and 700 K. All systems assumed a fixed cubic seed of 58 atoms and 6 vacancies. Crystallization occurs within 600 ps for the 460-atom system at 600 and 700 K, and signs of crystallization (nucleus growth, percolation) are present in the others. Crystallization is accompanied by an increase in the number of “ABAB squares” (A: Ge, Sb, B: Te), and atoms of all elements move significantly. There is no evidence of cavity movement to the crystal-glass interface, as suggested recently, and the existence of Te-Te, Ge-Ge, Ge-Sb, and Sb-Sb (“wrong”) bonds is an inevitable consequence of rapid crystallization.
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review B
dc.subject.otheramorphous materials
dc.subject.othermemory materials
dc.titleNucleus-driven crystallization of amorphous Ge2Sb2Te5: A density functional study
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201602021395
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysiikka
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-02-02T13:15:40Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn1098-0121
dc.relation.volume86
dc.type.versionpublishedVersion
dc.rights.copyright© 2012 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1103/PhysRevB.86.144113


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