Evolution of Short-Range Order of Amorphous GeTe Upon Structural Relaxation Obtained by TEM Diffractometry and RMC Methods.

Stenz, Christian ORCID: 0009-0008-5391-2931, Pries, Julian ORCID: 0000-0002-5978-8213, Surta, T Wesley ORCID: 0000-0002-2882-6483, Gaultois, Michael W ORCID: 0000-0003-2172-2507 and Wuttig, Matthias ORCID: 0000-0003-1498-1025 (2023) Evolution of Short-Range Order of Amorphous GeTe Upon Structural Relaxation Obtained by TEM Diffractometry and RMC Methods. Advanced science (Weinheim, Baden-Wurttemberg, Germany), 10 (36). e2304323-.

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Official URL: http://dx.doi.org/10.1002/advs.202304323

Abstract

Glasses frequently reveal structural relaxation that leads to changes in their physical properties including enthalpy, specific volume, and resistivity. Analyzing the short-range order (SRO) obtained from electron diffraction by transmission electron microscopy (TEM) in combination with Reverse-Monte-Carlo (RMC) simulations is shown to provide information on the atomic arrangement. The technique elaborated here features several benefits including reliability, accessibility, and allows for obtaining detailed structural data quickly. This is demonstrated with a detailed view of the structural changes in the as-deposited amorphous phase change material (PCM) GeTe. The data show a significant increase in the average bond angle upon thermal treatment. At the same time the fraction of tetrahedrally coordinated Ge atoms decreases due to an increase in octahedrally distorted and pyramidal motifs. This finding provides further evidence for the atomic processes that govern structural relaxation in amorphous GeTe and other PCMs. A thorough literature review finally unveils possible origins of the large discrepancies reported on the structure of amorphous GeTe.

Item Type:	Article
Uncontrolled Keywords:	metavalent bonding, pair distribution function, phase change materials, resistance drift, reverse Monte-Carlo simulation, structural relaxation, structure function, transmission electron microscope diffraction
Divisions:	Faculty of Science and Engineering > School of Physical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	30 Jan 2024 10:05
Last Modified:	30 Jan 2024 10:56
DOI:	10.1002/advs.202304323
Open Access URL:	https://doi.org/10.1002/advs.202304323
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3178079