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Interface-Driven Phase Transition of Phase-Change Material

机译：相变材料的接口驱动相变

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摘要

In order to be able to control the phase transition of engineered phase-change materials, the specific understanding of phase transition processes is essential. To understand the effect of dopant on phase transition, the phase transition processes of Bi-5.5(In3SbTe2)(94.5) (Bi-IST) are quantitatively investigated with regard to the interfacial, bulk, entropy, and Gibbs free energies involved in the intermediate InSb and InTe phases and the crystallized Bi-IST. In the first step, InSb is crystallized; InTe and Bi are present in the amorphous phase. In the second step, heterogeneous nucleation of crystalline InTe occurs on the InSb. The energy barrier calculated for this nucleation of crystalline InTe is reduced by 1.5 times owing to the interfacial reaction of 5.5 atom % of Bi atoms compared to the case without Bi. In the third step, crystalline InSb and InTe are crystallized to Bi-IST since Bi atoms substitute Sb sites with a higher interfacial energy. The difference in the Gibbs free energy of the Bi-IST is -1.4 x 10(5) eV, which is lower than the -1.1 x 10(5) eV of the IST; this is because the differences in entropy with an increase in temperature and the interfacial energy are increased owing to the added Bi atoms. This lower Gibbs free energy becomes a driving force for the stable phase transition of Bi-IST at a lower transition temperature compared with that of the IST. With these phase transition processes, the contribution shares of enthalpy, entropy with temperature change, and interfacial energy are quantitatively analyzed; moreover, we recommend one of the various methods to design a novel phase-change material.
机译：为了能够控制工程变化材料的相位转变，对相变过程的具体了解是必不可少的。要了解掺杂剂对相转变的影响，关于界面，散装，熵和涉及中间的界面，散装，熵和Gibbs自由能量，将Bi-5.5（In3SBTE2）（94.5）（Bi-Ist）的相转变过程定量研究INSB和INTE阶段和结晶双IST。在第一步中，INSB结晶; Inte和Bi存在于非形貌中。在第二步中，在INSB上发生结晶内嵌的异质成核。由于Bi原子的界面反应与没有Bib的情况相比，对于该结晶内的这种结晶嵌合成核的能量屏障减少了1.5倍。在第三步中，晶体INSB和INTE被结晶于BI-IST，因为BI原子用较高的界面能替代SB位点。 BI-IST的GIBBS自由能的差异为-1.4×10（5 )EV，低于IST的-1.1 x 10（5 )EV;这是因为由于添加的BI原子增加了温度和界面能量增加的熵和界面能量的差异。该较低的Gibbs自由能成为与IST相比较低的过渡温度下Bi-IST的稳定相转变的驱动力。通过这些相变过程，定量分析焓，温度变化熵和界面能量的贡献份额;此外，我们建议设计一种设计新型相变材料的方法之一。

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  • 来源
    《Crystal growth & design》 |2019年第4期|共8页
  • 作者

    Choi Minho; Choi Heechae; Ahn Jinho; Kim Yong Tae;

  • 作者单位

    Korea Inst Sci &

    Technol Semicond Mat &

    Device Lab Hwarang Ro 14 Gil 5 Seoul 02792 South Korea;

    Univ Cologne Inst Inorgan Chem Greinstr 6 D-50939 Cologne Germany;

    Hanyang Univ Div Mat Sci &

    Engn 222 Wangsimni Ro Seoul 04763 South Korea;

    Korea Inst Sci &

    Technol Semicond Mat &

    Device Lab Hwarang Ro 14 Gil 5 Seoul 02792 South Korea;

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  • 正文语种 eng
  • 中图分类 晶体学;
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