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化学键与超快晶体生长的关系。

The Relation between Chemical Bonding and Ultrafast Crystal Growth.

机构信息

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.

出版信息

Adv Mater. 2017 Jun;29(24). doi: 10.1002/adma.201700814. Epub 2017 Apr 18.

Abstract

Glasses are often described as supercooled liquids, whose structures are topologically disordered like a liquid, but nevertheless retain short-range structural order. Structural complexity is often associated with complicated electron-charge distributions in glassy systems, making a detailed investigation challenging even for short-range structural order, let alone their atomic dynamics. This is particularly problematic for lone-pair-rich, semiconducting materials, such as phase-change materials (PCMs). Here, this study shows that analytical methods for studying bonding, based on the electron-charge density, rather than a conventional atomic pair-correlation-function approach, allows an in-depth investigation into the chemical-bonding network, as well as lone pairs, of the prototypical PCM, Ge Sb Te (GST). It is demonstrated that the structurally flexible building units of the amorphous GST network, intimately linked to the presence of distinctly coexisting weak covalent and lone-pair interactions, give rise to cooperative structural-ordering processes, by which ultrafast crystal growth becomes possible. This finding may universally apply to other PCMs.

摘要

眼镜通常被描述为过冷液体,其结构拓扑无序,像液体一样,但仍保留短程结构有序。结构复杂性通常与玻璃态系统中复杂的电子电荷分布有关,即使对于短程结构有序,甚至更不用说原子动力学,这也是一个具有挑战性的问题。对于富孤对、半导体材料(如相变材料)尤其如此。在这里,这项研究表明,基于电子电荷密度而不是传统的原子对相关函数方法的研究键合的分析方法,可以深入研究典型相变材料 GeSbTe (GST) 的化学键网络以及孤对电子。研究表明,非晶态 GST 网络的结构灵活的构建单元与明显共存的弱共价和孤对相互作用密切相关,导致协同结构有序过程,从而使超快晶体生长成为可能。这一发现可能普遍适用于其他相变材料。

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