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000890442 1001_ $$0P:(DE-HGF)0$$aXu, Yazhi$$b0
000890442 245__ $$aMaterials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications
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000890442 520__ $$aTailoring the degree of disorder in chalcogenide phase‐change materials (PCMs) plays an essential role in nonvolatile memory devices and neuro‐inspired computing. Upon rapid crystallization from the amorphous phase, the flagship Ge–Sb–Te PCMs form metastable rocksalt‐like structures with an unconventionally high concentration of vacancies, which results in disordered crystals exhibiting Anderson‐insulating transport behavior. Here, ab initio simulations and transport experiments are combined to extend these concepts to the parent compound of Ge–Sb–Te alloys, viz., binary Sb2Te3, in the metastable rocksalt‐type modification. Then a systematic computational screening over a wide range of homologous, binary and ternary chalcogenides, elucidating the critical factors that affect the stability of the rocksalt structure is carried out. The findings vastly expand the family of disorder‐controlled main‐group chalcogenides toward many more compositions with a tunable bandgap size for demanding phase‐change applications, as well as a varying strength of spin–orbit interaction for the exploration of potential topological Anderson insulators.
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000890442 536__ $$0G:(DE-Juel1)jara0207_20191101$$aAb initio study of liquid-liquid phase transitions in semiconductors and phase-change materials (jara0207_20191101)$$cjara0207_20191101$$fAb initio study of liquid-liquid phase transitions in semiconductors and phase-change materials$$x1
000890442 536__ $$0G:(DE-Juel1)jara0183_20180501$$aAb initio study of the electronic and kinetic properties of clean and Scandium-alloyed Sb2Te3 (jara0183_20180501)$$cjara0183_20180501$$fAb initio study of the electronic and kinetic properties of clean and Scandium-alloyed Sb2Te3$$x2
000890442 536__ $$0G:(DE-Juel1)jara0198_20190501$$aAb initio investigation of the structure-dynamics relation in phase-change materials (jara0198_20190501)$$cjara0198_20190501$$fAb initio investigation of the structure-dynamics relation in phase-change materials$$x3
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000890442 7001_ $$0P:(DE-HGF)0$$aWang, Xudong$$b1
000890442 7001_ $$0P:(DE-HGF)0$$aZhang, Wei$$b2
000890442 7001_ $$0P:(DE-HGF)0$$aSchäfer, Lisa$$b3
000890442 7001_ $$0P:(DE-HGF)0$$aReindl, Johannes$$b4
000890442 7001_ $$0P:(DE-HGF)0$$avom Bruch, Felix$$b5
000890442 7001_ $$0P:(DE-HGF)0$$aZhou, Yuxing$$b6
000890442 7001_ $$0P:(DE-HGF)0$$aEvang, Valentin$$b7
000890442 7001_ $$0P:(DE-HGF)0$$aWang, Jiang-Jing$$b8
000890442 7001_ $$0P:(DE-HGF)0$$aDeringer, Volker L.$$b9
000890442 7001_ $$0P:(DE-HGF)0$$aMa, En$$b10
000890442 7001_ $$0P:(DE-Juel1)176716$$aWuttig, Matthias$$b11$$eCorresponding author
000890442 7001_ $$00000-0003-2319-375X$$aMazzarello, Riccardo$$b12
000890442 773__ $$0PERI:(DE-600)1474949-x$$a10.1002/adma.202006221$$gp. 2006221 -$$n9$$p2006221 -$$tAdvanced materials$$v33$$x1521-4095$$y2021
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