Thermodynamic description of the Ge-Sb-Te phase change materials and its applications in predictions of crystallization and solidification

IF 6.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Journal of Alloys and Compounds Pub Date : 2025-03-20 DOI:10.1016/j.jallcom.2025.179764
Dongyu Cui, Jiong Wang, Jiaqiang Zhou
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Abstract

Phase change memory (PCM) is characterized in its high speed, high stability and low power consumption. The investigation of stoichiometric variation, precipitation kinetics, microstructure simulation, non-isothermal and non-equilibrium conditions are significant in the development of PCM, in which the thermodynamic database is absolutely necessary. However, there is no available database of the Ge-Sb-Te ternary system and there exists some contradictions in the reported phase relations. This study elucidates these contradictions by measuring the phase relations of the Ge-Sb-Te ternary system at 673 K. Combined with the measured results and the first-principles method, the thermodynamic description in the whole composition range of the Ge-Sb-Te ternary system is evaluated by the CALculation of PHAse Diagram (CALPHAD) approach with the reassessment of the Ge-Te and Sb-Te binary systems. To provide possibilities for future volume effect research, the molar volume of the liquid phases and Ge2Sb2Te5, are also performed based on literature data. Finally, the thermodynamic description carried in this work is used to predict the amorphous forming ability. A local minimum value of the max driving force is found, which predicted owns good amorphous forming ability. In addition, the phase composition of crystallization and solidification products are also can be predicted using the thermodynamic description. The present work could contribute to the research of the Ge-Sb-Te phase change memory and future assessment of multicomponent systems.

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Ge-Sb-Te相变材料的热力学描述及其在结晶和凝固预测中的应用
相变存储器(PCM)具有高速、高稳定性和低功耗的特点。化学计量变化、沉淀动力学、微观结构模拟、非等温和非平衡条件的研究在PCM的发展中具有重要意义,其中热力学数据库是绝对必要的。然而,目前还没有Ge-Sb-Te三元体系的数据库,所报道的相关系也存在一些矛盾。本研究通过测量673 K下Ge-Sb-Te三元体系的相关系,阐明了这些矛盾。结合测量结果和第一性原理方法,通过对Ge-Te和Sb-Te二元体系的重新评价,采用相图计算(CALPHAD)方法评价了Ge-Te和Sb-Te三元体系在整个组成范围内的热力学描述。为了给未来的体积效应研究提供可能,我们还在文献数据的基础上计算了液相和Ge2Sb2Te5的摩尔体积。最后,利用热力学描述对非晶成形能力进行了预测。找到了最大驱动力的局部最小值,预示着具有良好的非晶成形能力。此外,还可以利用热力学描述来预测结晶和凝固产物的相组成。本文的工作对Ge-Sb-Te相变记忆的研究和多组分系统的未来评价具有重要意义。
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来源期刊
Journal of Alloys and Compounds
Journal of Alloys and Compounds 工程技术-材料科学:综合
CiteScore
11.10
自引率
14.50%
发文量
5146
审稿时长
67 days
期刊介绍: The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.
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