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A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping.


ABSTRACT: Reversible phase-change behaviors of Ge-Sb-Te based superlattices (GST-SL) were studied by ab initio molecular dynamics (AIMD) simulations based on three models containing Ge/Sb intermixing, namely the Petrov-mix, Ferro-mix, and Kooi-mix models. The flipping behavior of Sb atoms was found in all the three GST-SL models in the melting process. Among them the Kooi-mix model exhibited the best stability, and the analyses of bond length distribution and electron localization function provided a better explanation on the phase transition of GST-SL. Finally, we proposed a fast switching model for GST-SL based on Sb flipping.

SUBMITTER: Sun T 

PROVIDER: S-EPMC7828381 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

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A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping.

Sun Teng T   Liu Furong F   Guo Jicheng J   Han Gang G   Zhang Yongzhi Y  

Materials (Basel, Switzerland) 20210113 2


Reversible phase-change behaviors of Ge-Sb-Te based superlattices (GST-SL) were studied by ab initio molecular dynamics (AIMD) simulations based on three models containing Ge/Sb intermixing, namely the Petrov-mix, Ferro-mix, and Kooi-mix models. The flipping behavior of Sb atoms was found in all the three GST-SL models in the melting process. Among them the Kooi-mix model exhibited the best stability, and the analyses of bond length distribution and electron localization function provided a bett  ...[more]

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