Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)

The anti‐site migrations of a prototypical phase‐change material under pressure are investigated by M. Xu, M Wuttig, and co‐workers in article number 1500117. The phase‐change material GeSb(2)Te(4) contains abundant vacancies. When subjected to a medium pressure, the vacancies may be occupied by adj...

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Autores principales: Xu, Ming, Zhang, Wei, Mazzarello, Riccardo, Wuttig, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2015
Materias:
Cover Picture
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5115425/
http://dx.doi.org/10.1002/advs.201570028
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author Xu, Ming
Zhang, Wei
Mazzarello, Riccardo
Wuttig, Matthias
author_facet Xu, Ming
Zhang, Wei
Mazzarello, Riccardo
Wuttig, Matthias
author_sort Xu, Ming
collection PubMed
description The anti‐site migrations of a prototypical phase‐change material under pressure are investigated by M. Xu, M Wuttig, and co‐workers in article number 1500117. The phase‐change material GeSb(2)Te(4) contains abundant vacancies. When subjected to a medium pressure, the vacancies may be occupied by adjacent Te atoms, followed by Sb atoms to fill the Te sites, forming “anti‐site Sb/Te pairs”, increasing the disorder of the lattice and inducing localized electronic states in the energy bands. [Image: see text]
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spelling pubmed-51154252016-12-15 Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015) Xu, Ming Zhang, Wei Mazzarello, Riccardo Wuttig, Matthias Adv Sci (Weinh) Cover Picture The anti‐site migrations of a prototypical phase‐change material under pressure are investigated by M. Xu, M Wuttig, and co‐workers in article number 1500117. The phase‐change material GeSb(2)Te(4) contains abundant vacancies. When subjected to a medium pressure, the vacancies may be occupied by adjacent Te atoms, followed by Sb atoms to fill the Te sites, forming “anti‐site Sb/Te pairs”, increasing the disorder of the lattice and inducing localized electronic states in the energy bands. [Image: see text] John Wiley and Sons Inc. 2015-08-11 /pmc/articles/PMC5115425/ http://dx.doi.org/10.1002/advs.201570028 Text en © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim https://creativecommons.org/licenses/by-nc/4.0/This is an open access article under the terms of the Creative Commons Attribution‐NonCommercial (https://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Cover Picture
Xu, Ming
Zhang, Wei
Mazzarello, Riccardo
Wuttig, Matthias
Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title_full Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title_fullStr Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title_full_unstemmed Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title_short Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb(2)Te(4) Using High Pressure (Adv. Sci. 8/2015)
title_sort ab initio molecular dynamics: disorder control in crystalline gesb(2)te(4) using high pressure (adv. sci. 8/2015)
topic Cover Picture
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5115425/
http://dx.doi.org/10.1002/advs.201570028
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