TY  - JOUR
AU  - Xu, Yazhi
AU  - Wang, Xudong
AU  - Zhang, Wei
AU  - Schäfer, Lisa
AU  - Reindl, Johannes
AU  - vom Bruch, Felix
AU  - Zhou, Yuxing
AU  - Evang, Valentin
AU  - Wang, Jiang-Jing
AU  - Deringer, Volker L.
AU  - Ma, En
AU  - Wuttig, Matthias
AU  - Mazzarello, Riccardo
TI  - Materials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications
JO  - Advanced materials
VL  - 33
IS  - 9
SN  - 1521-4095
CY  - Weinheim
PB  - Wiley-VCH
M1  - FZJ-2021-00958
SP  - 2006221 -
PY  - 2021
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - 33491816
UR  - <Go to ISI:>//WOS:000611855400001
DO  - DOI:10.1002/adma.202006221
UR  - https://juser.fz-juelich.de/record/890442
ER  -