Time-temperature-transformation and continuous-heating transformation diagrams of GeSb2Te4 from nanosecond-long ab initio molecular dynamics simulations

被引：16

作者：

Bai, Kewu ^{[1
]}

Tan, Teck L. ^{[1
]}

Branicio, Paulo S. ^{[1
]}

Sullivan, Michael B. ^{[1
]}

机构：

[1] Agcy Sci Technol & Res, Inst High Performance Comp, 1 Fusionopolis Way,16-16 Connexis, Singapore 138632, Singapore

来源：

ACTA MATERIALIA | 2016年 / 121卷

关键词：

Phase-change materials; ab initio molecular dynamics; GST; ITT diagram; CHT diagram; PHASE-CHANGE MATERIALS; THIN-FILMS; CRYSTALLIZATION KINETICS; CRYSTAL NUCLEATION; AMORPHOUS PHASE; LIQUID-METALS; CHANGE MEMORY; GE2SB2TE5; TRANSITIONS; MICROSCOPY;

D O I：

10.1016/j.actamat.2016.09.011

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We use ab initio molecular dynamics (AIMD) simulations to build an amorphous model of GeSb2Te4 and nanosecond-long annealing AIMD simulations to construct its Time-Temperature-Transformation (TTT) and Continuous-Heating-Transformation (CHT) diagrams. The critical cooling rate for amorphous GeSb2Te4, derived from the "nose" of the TTT diagram, is in the range 470-1100 K/ns. The Kissinger analysis of the non-isothermal crystallization kinetics suggests that it follows a non-Arrhenius crystallization behavior in which the crystallization temperature is upshifted by the heating rates. These results, from unprecedentedly long AIMD simulations, provide a detailed picture of the complex crystallization of GST alloys at the extremely small time and length scales relevant to phase change memory devices. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：257 / 265

页数：9

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