We investigated the resistive switching mechanism between the high-resistance state (HRS) and the low-resistance state (LRS) of the GeTe–Sb₂Te₃ (GST) superlattice. First-principles calculations were performed to identify the structural transition pathway and to evaluate the current–voltage (I–V) characteristics of the GST device cell. After determining the atomistic structures of the stable structural phases of the GST superlattice, we found the structural transition pathways and the transition states of possible elementary processes in the device, which consisted of a thin film of GST superlattice and semi-infinite electrodes. The calculations of the I–V characteristics were examined to identify the HRS and the LRS, and the results reasonably agreed with those of our previous study (H. Nakamura, et al., Nanoscale, 2017, 9, 9286). The calculated HRS/LRS and analysis of the transition states of the pathways suggest that a bipolar switching mode dominated by the electric-field effect is possible.

中文翻译：

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GeTe–Sb ₂ Te ₃超晶格的结构转变途径和双极转换作为界面相变记忆

我们研究了GeTe–Sb ₂ Te ₃（GST）超晶格在高电阻状态（HRS）和低电阻状态（LRS）之间的电阻切换机制。第一原理计算进行识别结构转变途径，并评价电流-电压（我- V）的GST设备电池的特性。在确定了GST超晶格的稳定结构相的原子结构后，我们发现了由GST超晶格薄膜和半无限电极组成的器件中的结构转变路径和可能的基本过程的转变状态。I – V的计算检查特性来识别HRS和LRS，结果合理与我们以前的研究（H.中村，同意等，纳米，2017年，9，9286）。计算出的HRS / LRS以及路径过渡状态的分析表明，以电场效应为主的双极开关模式是可能的。