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

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...

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Detalles Bibliográficos
Autores principales: Sun, Teng, Liu, Furong, Guo, Jicheng, Han, Gang, Zhang, Yongzhi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7828381/
https://www.ncbi.nlm.nih.gov/pubmed/33450936
http://dx.doi.org/10.3390/ma14020360
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author Sun, Teng
Liu, Furong
Guo, Jicheng
Han, Gang
Zhang, Yongzhi
author_facet Sun, Teng
Liu, Furong
Guo, Jicheng
Han, Gang
Zhang, Yongzhi
author_sort Sun, Teng
collection PubMed
description 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.
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spelling pubmed-78283812021-01-25 A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping Sun, Teng Liu, Furong Guo, Jicheng Han, Gang Zhang, Yongzhi Materials (Basel) Article 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. MDPI 2021-01-13 /pmc/articles/PMC7828381/ /pubmed/33450936 http://dx.doi.org/10.3390/ma14020360 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sun, Teng
Liu, Furong
Guo, Jicheng
Han, Gang
Zhang, Yongzhi
A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title_full A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title_fullStr A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title_full_unstemmed A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title_short A Phase-Change Mechanism of GST-SL Based Superlattices upon Sb Flipping
title_sort phase-change mechanism of gst-sl based superlattices upon sb flipping
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7828381/
https://www.ncbi.nlm.nih.gov/pubmed/33450936
http://dx.doi.org/10.3390/ma14020360
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