| Literature DB >> 28417576 |
Tae Hoon Lee1, Stephen R Elliott1.
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, Ge2 Sb2 Te5 (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.Entities:
Keywords: DFT calculations; chemical bonding; crystal growth; phase-change materials
Year: 2017 PMID: 28417576 DOI: 10.1002/adma.201700814
Source DB: PubMed Journal: Adv Mater ISSN: 0935-9648 Impact factor: 30.849