Literature DB >> 25044627

Bonding nature of local structural motifs in amorphous GeTe.

Volker L Deringer1, Wei Zhang, Marck Lumeij, Stefan Maintz, Matthias Wuttig, Riccardo Mazzarello, Richard Dronskowski.   

Abstract

Despite its simple chemical constitution and unparalleled technological importance, the phase-change material germanium telluride (GeTe) still poses fundamental questions. In particular, the bonding mechanisms in amorphous GeTe have remained elusive to date, owing to the lack of suitable bond-analysis tools. Herein, we introduce a bonding indicator for amorphous structures, dubbed "bond-weighted distribution function" (BWDF), and we apply this method to amorphous GeTe. The results underline a peculiar role of homopolar Ge-Ge bonds, which locally stabilize tetrahedral fragments but not the global network. This atom-resolved (i.e., chemical) perspective has implications for the stability of amorphous "zero bits" and thus for the technologically relevant resistance-drift phenomenon.
© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Keywords:  bond theory; crystal orbital overlap populations; molecular dynamics; phase-change materials; resistance drift

Year:  2014        PMID: 25044627     DOI: 10.1002/anie.201404223

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  11 in total

1.  Aging mechanisms in amorphous phase-change materials.

Authors:  Jean Yves Raty; Wei Zhang; Jennifer Luckas; Chao Chen; Riccardo Mazzarello; Christophe Bichara; Matthias Wuttig
Journal:  Nat Commun       Date:  2015-06-24       Impact factor: 14.919

2.  Structural, electronic and kinetic properties of the phase-change material Ge2Sb2Te5 in the liquid state.

Authors:  Mathias Schumacher; Hans Weber; Pál Jóvári; Yoshimi Tsuchiya; Tristan G A Youngs; Ivan Kaban; Riccardo Mazzarello
Journal:  Sci Rep       Date:  2016-06-08       Impact factor: 4.379

3.  LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.

Authors:  Stefan Maintz; Volker L Deringer; Andrei L Tchougréeff; Richard Dronskowski
Journal:  J Comput Chem       Date:  2016-02-24       Impact factor: 3.376

4.  Electronic hybridisation implications for the damage-tolerance of thin film metallic glasses.

Authors:  Volker Schnabel; B Nagamani Jaya; Mathias Köhler; Denis Music; Christoph Kirchlechner; Gerhard Dehm; Dierk Raabe; Jochen M Schneider
Journal:  Sci Rep       Date:  2016-11-07       Impact factor: 4.379

5.  Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials.

Authors:  Volker L Deringer; Ralf P Stoffel; Matthias Wuttig; Richard Dronskowski
Journal:  Chem Sci       Date:  2015-06-29       Impact factor: 9.825

Review 6.  A Review on Disorder-Driven Metal-Insulator Transition in Crystalline Vacancy-Rich GeSbTe Phase-Change Materials.

Authors:  Jiang-Jing Wang; Ya-Zhi Xu; Riccardo Mazzarello; Matthias Wuttig; Wei Zhang
Journal:  Materials (Basel)       Date:  2017-07-27       Impact factor: 3.623

7.  Hypervalency in amorphous chalcogenides.

Authors:  T H Lee; S R Elliott
Journal:  Nat Commun       Date:  2022-03-18       Impact factor: 14.919

8.  First-principles thermal transport in amorphous Ge2Sb2Te5 at the nanoscale.

Authors:  Thuy-Quynh Duong; Assil Bouzid; Carlo Massobrio; Guido Ori; Mauro Boero; Evelyne Martin
Journal:  RSC Adv       Date:  2021-03-12       Impact factor: 3.361

9.  Understanding Phase-Change Memory Alloys from a Chemical Perspective.

Authors:  A V Kolobov; P Fons; J Tominaga
Journal:  Sci Rep       Date:  2015-09-01       Impact factor: 4.379

10.  How fragility makes phase-change data storage robust: insights from ab initio simulations.

Authors:  Wei Zhang; Ider Ronneberger; Peter Zalden; Ming Xu; Martin Salinga; Matthias Wuttig; Riccardo Mazzarello
Journal:  Sci Rep       Date:  2014-10-06       Impact factor: 4.379

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