Article (Scientific journals)
Role of vacancies in metal-insulator transitions of crystalline phase-change materials
Zhang, Wei; Thiess, Alex; Zalden, Peter et al.
2012In Nature Materials, 11 (11), p. 952-956
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Keywords :
Phase Change Materials; Crystalline solids; Microscopic mechanisms
Abstract :
[en] The study of metal-insulator transitions (MITs) in crystalline solids is a subject of paramount importance, both from the fundamental point of view and for its relevance to the transport properties of materials. Recently, a MIT governed by disorder was observed in crystalline phase-change materials. Here we report on calculations employing density functional theory, which identify the microscopic mechanism that localizes the wavefunctions and is driving this transition. We show that, in the insulating phase, the electronic states responsible for charge transport are localized inside regions having large vacancy concentrations. The transition to the metallic state is driven by the dissolution of these vacancy clusters and the formation of ordered vacancy layers. These results provide important insights on controlling the wavefunction localization, which should help to develop conceptually new devices based on multiple resistance states. © 2012 Macmillan Publishers Limited. All rights reserved.
Disciplines :
Materials science & engineering
Author, co-author :
Zhang, Wei
Thiess, Alex
Zalden, Peter
Zeller, R
Dederichs, P.H.
Raty, Jean-Yves  ;  Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Wuttig, Matthias
Blugel, Stefan
Mazzarello, Riccardo
Language :
English
Title :
Role of vacancies in metal-insulator transitions of crystalline phase-change materials
Publication date :
November 2012
Journal title :
Nature Materials
ISSN :
1476-1122
eISSN :
1476-4660
Publisher :
Nature Publishing Group, London, United Kingdom
Volume :
11
Issue :
11
Pages :
952-956
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 11 March 2014

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