Abstract

AbstractPhase change materials have issues in the automotive industry and in‐memory computing due to their limited thermal stability and high power consumption. Consequently, numerous studies are conducted to enhance the performance of these materials. Uncertainty persists regarding the effects and mechanisms of various doping on the parent material. In this study, four metallic doping elements are selected, and their effects on Sb2Te3 are meticulously analyzed through experiments and ab initio calculations. The thermal stability of Sb2Te3 has been somewhat enhanced by doping these four elements, with Ta doping having the most impact. According to the ab initio molecular dynamics, this improvement results from the tetrahedral centered In and the increased coordination numbers of Ta, Ti, and Sc. Sc located at the center of the octahedron can accelerate the crystallization process. Ta, in particular, exerts the greatest influence on the migration rates of Sb and Te, resulting in the slowest grain growth rate. Simultaneously, it maximizes the delay in the transition from the cubic phase to the hexagonal phase. These features are beneficial for reducing power consumption. The elucidation of the distinct effects of doping elements sets the stage for phase change memory to adapt to various application scenarios.

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