First-principles simulations of local structure contrast for liquid Ge1Sb2Te4, Ge2Sb2Te5, and Ge4Sb1Te5 alloys

Article ID	Journal	Published Year	Pages	File Type
1561587	Computational Materials Science	2012	4 Pages	PDF

Abstract

âº The element couple state of Ge1Sb2Te4 and Ge2Sb2Te5 is better than that of Ge4Sb1Te5. âº The decrease of average coordination number leads to faster atomic motion in liquid. âº The lowest compositional disorder number of Ge2Sb2Te5 indicates the best stability. âº All Ge1Sb2Te4, Ge2Sb2Te5, and Ge4Sb1Te5 liquids mainly retain octahedral local structure.

Keywords

First-principles molecular dynamics Phase-change memory Liquid phase

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

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First-principles simulations of local structure contrast for liquid Ge1Sb2Te4, Ge2Sb2Te5, and Ge4Sb1Te5 alloys

Authors

Feng-Chun Pang, Dan Wang, Nian-Ke Chen, Sheng-Yi Xie, Xing Meng, Cheng-Song Huo, Hai Yang, Xiao-Ping Su, Wen-Quan Wang, Hai-Ling Tu,