Materials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications
Advanced Materials, vol. 33, pp. e2006221
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 Sb 2 Te 3 , 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.
Authors 13
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Yazhi Xu Aachen Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC Institute for Theoretical Solid State Physics
Jülich Aachen Research Alliance · Xi'an Jiaotong University · RWTH Aachen University
Affiliation as printed
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 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
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Affiliation as printed
Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
Center for Alloy Innovation and Design (CAID) Materials Studio for Neuro‐Inspired Computing Xi'an Jiaotong University Xi'an 710049 China
Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049 China
Center for Alloy Innovation and Design (CAID), Materials Studio for Neuro-Inspired Computing, Xi'an Jiaotong University, Xi'an, 710049 China
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Wei Zhang corresponding
Affiliation as printed
Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
Center for Alloy Innovation and Design (CAID) Materials Studio for Neuro‐Inspired Computing Xi'an Jiaotong University Xi'an 710049 China
Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049 China
Center for Alloy Innovation and Design (CAID), Materials Studio for Neuro-Inspired Computing, Xi'an Jiaotong University, Xi'an, 710049 China
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Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
I. Institute of Physics (IA), JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Johannes Reindl Aachen I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC I. Institute of Physics (IA)
Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
I. Institute of Physics (IA), JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Felix vom Bruch Aachen I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC I. Institute of Physics (IA)
Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
I. Institute of Physics (IA), JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Affiliation as printed
Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
Center for Alloy Innovation and Design (CAID) Materials Studio for Neuro‐Inspired Computing Xi'an Jiaotong University Xi'an 710049 China
Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049 China
Center for Alloy Innovation and Design (CAID), Materials Studio for Neuro-Inspired Computing, Xi'an Jiaotong University, Xi'an, 710049 China
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Valentin Evang Aachen Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC Institute for Theoretical Solid State Physics
Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
Institute for Theoretical Solid-State Physics, JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Jiangjing Wang Aachen I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC I. Institute of Physics (IA)
Jülich Aachen Research Alliance · Xi'an Jiaotong University · RWTH Aachen University
Affiliation as printed
Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049 China
I. Institute of Physics (IA), JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Affiliation as printed
Department of Chemistry Inorganic Chemistry Laboratory University of Oxford Oxford OX1 3QR UK
Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, Oxford, OX1 3QR UK
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Affiliation as printed
Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
Center for Alloy Innovation and Design (CAID) Materials Studio for Neuro‐Inspired Computing Xi'an Jiaotong University Xi'an 710049 China
Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049 China
Center for Alloy Innovation and Design (CAID), Materials Studio for Neuro-Inspired Computing, Xi'an Jiaotong University, Xi'an, 710049 China
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Matthias Wuttig corresponding Aachen I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC I. Institute of Physics (IA)
Forschungszentrum Jülich · Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
I. Institute of Physics (IA) JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
Peter Grünberg Institute (PGI 10) Forschungszentrum Jülich GmbH 52425 Jülich Germany
I. Institute of Physics (IA), JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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Riccardo Mazzarello corresponding Aachen Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC Institute for Theoretical Solid State Physics
Jülich Aachen Research Alliance · RWTH Aachen University
Affiliation as printed
Institute for Theoretical Solid‐State Physics JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
Institute for Theoretical Solid-State Physics, JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
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