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Ab initio molecular dynamics and materials design for embedded phase-change memory 被引量:2

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摘要 The Ge_(2)Sb_(2)Te_(5)alloy has served as the core material in phase-change memories with high switching speed and persistent storage capability at room temperature.However widely used,this composition is not suitable for embedded memories—for example,for automotive applications,which require very high working temperatures above 300℃.Ge–Sb–Te alloys with higher Ge content,most prominently Ge2Sb1Te2(‘212’),have been studied as suitable alternatives,but their atomic structures and structure–property relationships have remained widely unexplored.Here,we report comprehensive first-principles simulations that give insight into those emerging materials,located on the compositional tie-line between Ge_(2)Sb_(1)Te_(2) and elemental Ge,allowing for a direct comparison with the established Ge_(2)Sb_(2)Te_(5)material.Electronic-structure computations and smooth overlap of atomic positions(SOAP)similarity analyses explain the role of excess Ge content in the amorphous phases.Together with energetic analyses,a compositional threshold is identified for the viability of a homogeneous amorphous phase(‘zero bit’),which is required for memory applications.Based on the acquired knowledge at the atomic scale,we provide a materials design strategy for high-performance embedded phase-change memories with balanced speed and stability,as well as potentially good cycling capability.
出处 《npj Computational Materials》 SCIE EI CSCD 2021年第1期256-263,共8页 计算材料学(英文)
基金 W.Z.thanks the support of National Natural Science Foundation of China(61774123) 111 Project 2.0(BP2018008) R.M.acknowledges funding from Deutsche Forschungsgemeinschaft(DFG)within SFB 917(‘Nanoswitches’).V.L.D.acknowledges a Leverhulme Early Career Fellowship.The authors acknowledge the support by the HPC platform of Xi’an Jiaotong University,and the International Joint Laboratory for Micro/Nano Manufacturing and Measurement Technologies of Xi’an Jiaotong University.
关键词 CYCLING ALLOY PHASE
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