Phase-Change Mechanism and Role of Each Element in Ag-In-Sb-Te: Chemical Bond Modulation

Dasol Kim, Taek Sun Jung, Hanjin Park, W. Yang, J. Han, Soobin Hwang, K. Sim, Young-Kyun Kwon, J. Kim, M. Cho
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Abstract

Reversible crystallization from the amorphous phase is one of the most promising bases on which to store data for universal electronic memory. However, crystallization mechanism at atomic scale and role of element in Ag-In-Sb-Te are still unsolved, whose memory properties are outstanding. To elucidate them, we studied the bonding topologies through spectroscopic techniques and density functional simulations. It is shown by in-situ X-ray photoelectron spectroscopy that element In dramatically changes its bonding topology on crystallization from Sb-bonds to Te-bonds, which are characterized as that of InSb and AgInTe2, respectively by density functional simulations. Further, the degree of atomic ordering is identified to highly dependent on local environment of In by spectroscopic ellipsometry. The overall results suggest that crystallization of Ag-In-Sb-Te is triggered by the local environment transition of In from InSb-like to AgInTe2-like site. Thereby, Ag provides structural flexibility for local environment transition of In, In disrupts crystallization, and Te assists the other elements to play their respective roles. The present work accounts for unsolved memory properties of Ag-In-Sb-Te and opens the gate to develop enhanced materials for the memory.
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Ag-In-Sb-Te中各元素的相变机理及作用:化学键调制
非晶相的可逆结晶是通用电子存储器中最有前途的数据存储基础之一。然而,Ag-In-Sb-Te在原子尺度上的结晶机理和元素在Ag-In-Sb-Te中的作用仍未明确,其记忆性能突出。为了阐明它们,我们通过光谱技术和密度泛函模拟研究了键合拓扑。原位x射线光电子能谱分析表明,In元素在结晶过程中从sb键转变为te键,密度泛函模拟结果表明,In元素的成键拓扑结构与InSb和AgInTe2的成键结构相似。此外,利用椭偏光谱法确定了原子有序度与局域环境高度相关。综上所述,Ag-In-Sb-Te的结晶是由In从InSb-like位点向AgInTe2-like位点的局部环境转变引发的。因此,Ag为In的局部环境过渡提供了结构灵活性,In破坏结晶,Te帮助其他元素发挥各自的作用。本研究解释了Ag-In-Sb-Te未解决的记忆特性,并为开发增强记忆材料打开了大门。
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