biostudies-literatureXu YChina Scholarship CouncilDeutsche ForschungsgemeinschaftDFG111 ProjectNational Natural Science Foundation of ChinaInternational Joint Laboratory for MicroNano Manufacturing and Measurement TechnologiesXi'an Jiaotong UniversityXi’an Jiaotong UniversityHigher Education Discipline Innovation Projecte2006221https://www.ebi.ac.uk/biostudies/studies/S-EPMC11468882biostudies-literatureUnknown33(9)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 Sb₂ Te₃ , 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 thAdvanced materials (Deerfield Beach, Fla.)Materials Screening for Disorder-Controlled Chalcogenide Crystals for Phase-Change Memory Applications.PMC1146888261774123SFB 917BP2018008Mazzarello RSchafer LEvang VZhou YWuttig MZhang WVom Bruch FReindl JDeringer VLWang XWang JJMa EXu YfalseMaterials Screening for Disorder-Controlled Chalcogenide Crystals for Phase-Change Memory Applications.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 Sb₂ Te₃ , 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 th2021-01-01T00:00:00Z2021 Mar2025-04-04T11:04:07.921Z2025-04-04T11:04:07.921ZS-EPMC114688823349181610.1002/adma.202006221