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journal article·2021-03Open access

Materials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications

Yazhi Xu, Xudong Wang, Wei Zhang, Lisa Schäfer, Johannes Reindl, Felix vom Bruch, Yuxing Zhou, Valentin Evang, Jiang‐Jing Wang, Volker L. Deringer, En Ma, Matthias Wuttig, Riccardo Mazzarello

Advanced Materials· Volume 33· Issue 9
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Abstract

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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Research context

Metals & alloys

OpenAlex topics: Phase-change materials and chalcogenides · Chalcogenide Semiconductor Thin Films · Solid-state spectroscopy and crystallography

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China

Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany

Center for Alloy Innovation and Design (CAID) Materials Studio for Neuro‐Inspired Computing Xi'an Jiaotong University Xi'an 710049 China

I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany

Department of Chemistry Inorganic Chemistry Laboratory University of Oxford Oxford OX1 3QR UK

Peter Grünberg Institute (PGI 10) Forschungszentrum Jülich GmbH 52425 Jülich Germany

Funding

National Natural Science Foundation of China · Higher Education Discipline Innovation Project · International Joint Laboratory for MicroNano Manufacturing and Measurement Technologies · Xi’an Jiaotong University · Deutsche Forschungsgemeinschaft · China Scholarship Council

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