Journal Article

FZJ-2021-00958

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Materials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications

Xu, Y. ; Wang, X. ; Zhang, W. ; Schäfer, L. ; Reindl, J. ; vom Bruch, F. ; Zhou, Y. ; Evang, V. ; Wang, J.-J. ; Deringer, V. L. ; Ma, E. ; Wuttig, M. (Corresponding author)FZJ* ; Mazzarello, R.

2021
Wiley-VCH Weinheim

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Please use a persistent id in citations: http://hdl.handle.net/2128/27403  doi:10.1002/adma.202006221

Abstract: Tailoring the degree of disorder in chalcogenide phase‐change materials (PCMs) plays an essential role in nonvolatile memory devices and neuro‐inspired computing. Upon rapid crystallization from the amorphous phase, the flagship Ge–Sb–Te PCMs form metastable rocksalt‐like structures with an unconventionally high concentration of vacancies, which results in disordered crystals exhibiting Anderson‐insulating transport behavior. Here, ab initio simulations and transport experiments are combined to extend these concepts to the parent compound of Ge–Sb–Te alloys, viz., binary Sb2Te3, in the metastable rocksalt‐type modification. Then a systematic computational screening over a wide range of homologous, binary and ternary chalcogenides, elucidating the critical factors that affect the stability of the rocksalt structure is carried out. The findings vastly expand the family of disorder‐controlled main‐group chalcogenides toward many more compositions with a tunable bandgap size for demanding phase‐change applications, as well as a varying strength of spin–orbit interaction for the exploration of potential topological Anderson insulators.

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Contributing Institute(s):

1. JARA Institut Green IT (PGI-10)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 523 - Neuromorphic Computing and Network Dynamics (POF4-523) (POF4-523)
2. Ab initio study of liquid-liquid phase transitions in semiconductors and phase-change materials (jara0207_20191101) (jara0207_20191101)
3. Ab initio study of the electronic and kinetic properties of clean and Scandium-alloyed Sb2Te3 (jara0183_20180501) (jara0183_20180501)
4. Ab initio investigation of the structure-dynamics relation in phase-change materials (jara0198_20190501) (jara0198_20190501)

Appears in the scientific report 2021

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Essential Science Indicators ; IF >= 25 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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