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首页> 外文期刊>Journal of Materials Chemistry, C. materials for optical and electronic devices >Laser irradiation-induced modification of the amorphous phase in GeTe films: the role of intermediate Ge-Te bonding in the crystallization mechanism
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Laser irradiation-induced modification of the amorphous phase in GeTe films: the role of intermediate Ge-Te bonding in the crystallization mechanism

机译：激光辐照引起的GeTe薄膜中非晶相的修饰：中间Ge-Te键在结晶机理中的作用

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摘要

Modified amorphous GeTe, formed by the pulsed laser irradiation of as-grown GeTe, was analyzed in terms of variations in the local bonding structure using Raman spectroscopy and X-ray absorption fine structure in tandem with first-principles density functional theory. Amorphized GeTe (acquired from the crystalline phase) was compared with the modified amorphous GeTe to investigate the similarities and discrepancies between these two amorphous phases. Raman spectroscopy showed that these materials have a similar distribution of Ge-centered local structure in both phases, which is mainly composed of an octahedral-like structure. However, extended X-ray absorption fine structure results show the presence of a unique second type of Ge-Te bonding in the amorphized GeTe, which can effectively reduce the energy required for recrystallization. A computational study based on molecular dynamics simulations verified our experimental observations, including the existence of a second type of Ge-Te bonding in the amorphized phase. Moreover we distinguished the structural characteristics underlying the different amorphous phases, such as local atomic configurations and structural symmetries.
机译：使用拉曼光谱法和X射线吸收精细结构与第一原理密度泛函理论相结合，分析了通过生长的GeTe的脉冲激光辐照形成的改性非晶GeTe。将非晶态的GeTe（从晶相获得）与改性的非晶态的GeTe进行了比较，以研究这两个非晶态相之间的相似性和差异。拉曼光谱表明，这些材料在两个相中都具有相似的以Ge为中心的局部结构分布，其主要由八面体状结构组成。然而，扩展的X射线吸收精细结构结果表明，在非晶化的GeTe中存在独特的第二种Ge-Te键，可以有效地降低重结晶所需的能量。基于分子动力学模拟的计算研究验证了我们的实验观察结果，包括在非晶相中存在第二种Ge-Te键。此外，我们区分了不同非晶相的潜在结构特征，例如局部原子构型和结构对称性。

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