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The local structural differences in amorphous Ge-Sb-Te alloys

TitleThe local structural differences in amorphous Ge-Sb-Te alloys
Publication TypeJournal Article
Year of Publication2019
AuthorsQiao, C, Guo, YR, Wang, JJ, Shen, H, Wang, SY, Zheng, YX, Zhang, RJ, Chen, LY, Wang, CZ, Ho, KM
JournalJournal of Alloys and Compounds
Date Published02
Type of ArticleArticle
ISBN Number0925-8388
Accession NumberWOS:000449743600089
Keywordsamorphous, augmented-wave method, chemistry, data-storage, films, Local structure, Materials Science, memories, Metallurgical Engineering, metals, Molecular dynamics, molecular-dynamics, Peierls distortion, phase-change materials

edrons in Ge-centered clusters of each alloy show a close proportion, but the fraction of tetrahedrons in total clusters increases with the increasing GeTe content due to the increase in the ratio of Ge atom. As for the distortions of clusters, the distorted tetrahedrons in Ge2Sb2Te5 are closest to the standard tetrahedron, the Peierls distortion of Ge-centered 6-fold octahedron reduces with an increase in GeTe content whereas that of Sb-centered 6-fold octahedron shows a little change. Additionally, it is found that GeTe content can inhibit the formation of nanocavity but contribute to the formation of the odd rings. Our findings deepens the understanding of amorphous structures, which can promote the design and application of phase-change materials. (C) 2018 Elsevier B.V. All rights reserved.

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Exploratory Theory

Alternate JournalJ. Alloy. Compd.