收录:
摘要:
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.
关键词:
通讯作者信息:
电子邮件地址:
来源 :
MATERIALS
年份: 2021
期: 2
卷: 14
3 . 4 0 0
JCR@2022
ESI学科: MATERIALS SCIENCE;
ESI高被引阀值:116
JCR分区:1
归属院系: