相变存储器材料设计与多尺度模拟的研究进展

沈雪阳, 褚瑞轩, 蒋宜辉, 张伟

Progress on Materials Design and Multiscale Simulations for Phase-Change Memory

SHEN Xueyang, CHU Ruixuan, JIANG Yihui, ZHANG Wei

图3 包含1008个原子Ge₁Sb₂Te₄模型在约600 K下的AIMD结晶化模拟^[61]

Fig.3 AIMD crystallization simulations of a 1008-atom Ge₁Sb₂Te₄ model at about 600 K^[61]
(a) snapshots of the crystallization process identified by

q_{4}^{d o t}

(b) snapshots of the crystallization process identified by smooth overlap of atomic positions (SOAP) kernel

\bar{k}

(

\bar{k}

—SOAP kernel function)
(c) structural analyses of the crystallization process (V—volume of the crystalline region, S—area of the interface between amorphous and crystalline regions, V_g—crystal growth velocity,

q_{4}^{d o t}

—local order parameter)