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arXiv 2109.05705cond-mat.mtrl-sci
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硫系相变材料局域关联结构的光致超快跃迁

Photoinduced ultrafast transition of the local correlated structure in chalcogenide phase-change materials

Yingpeng Qi, Nianke Chen, Thomas Vasileiadis, Daniela Zahn, Helene Seiler, Xianbin Li, Ralph Ernstorfer

摘要:

揭示具有复杂晶格结构的功能材料中的成键和随时间演化的原子动力学可以更新其中丰富的物理基础知识,也有助于根据需要操纵材料性质。Ge_2Sb_2Te_5作为最典型的硫系相变材料,由于其开关速度快、能耗低等优点,在光存储和非易失性电存储领域得到了广泛的应用。然而,在原子尺度上的结构动力学的基本认识仍然不清楚。利用飞秒电子衍射、结构因子计算和TDDFT-MD模拟,揭示了Ge 2Sb 2 Te 5平均岩盐相局域关联结构的光致超快跃迁. Ge_2Sb_2Te_5平均岩盐相晶胞间随机取向的Peierls畸变称为局域关联结构。超快抑制的局部Peierls扭曲在个别单位细胞引起的局部结构变化从菱面体的立方几何形状在~ 0.3 ps。此外,载流子弛豫和大量的空位的超快结构响应的影响进行了量化和讨论。我们的工作提供了新的微观见解的贡献的本地相关结构的瞬态结构和光学响应的相变材料。此外,我们强调了飞秒电子衍射在揭示亚单元中的局域关联结构以及具有复杂微结构的功能材料中的局域关联结构与物理性质之间的联系方面的意义。

英文摘要:

Revealing the bonding and time-evolving atomic dynamics in functional materials with complex lattice structures can update the fundamental knowledge on rich physics therein, and also help to manipulate the material properties as desired. As the most prototypical chalcogenide phase change material, Ge2Sb2Te5 has been widely used in optical data storage and non-volatile electric memory due to the fast switching speed and the low energy consumption. However, the basic understanding of the structural dynamics on the atomic scale is still not clear. Using femtosecond electron diffraction, structure factor calculation and TDDFT-MD simulation, we reveal the photoinduced ultrafast transition of the local correlated structure in the averaged rock-salt phase of Ge2Sb2Te5. The randomly oriented Peierls distortion among unit cells in the averaged rock-salt phase of Ge2Sb2Te5 is termed as local correlated structures. The ultrafast suppression of the local Peierls distortions in individual unit cell gives rise to a local structure change from the rhombohedral to the cubic geometry within ~ 0.3 ps. In addition, the impact of the carrier relaxation and the large amount of vacancies to the ultrafast structural response is quantified and discussed. Our work provides new microscopic insights into contributions of the local correlated structure to the transient structural and optical responses in phase change materials. Moreover, we stress the significance of femtosecond electron diffraction in revealing the local correlated structure in the subunit cell and the link between the local correlated structure and physical properties in functional materials with complex microstructures.

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