The First-Priniple Simulation Study on the Specific Grain Boundary Resistivity in Copper Interconnects
The First-Priniple Simulation Study on the Specific Grain Boundary Resistivity in Copper Interconnects
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DOI：
10.1109/nmdc.2018.8605907
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发表时间：
2018-10
期刊：
影响因子：
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通讯作者：
Jaehyun Lee;M. Lamarche;V. Georgiev
中科院分区：
文献类型：
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作者：
Jaehyun Lee;M. Lamarche;V. Georgiev
在这项工作中，我们提出了一个系统的模拟研究与非平衡绿色函数（NEGF）框架的基础上的密度泛函理论（DFT）的大量铜（Cu）晶界。为了评估各种晶界轮廓的比电阻率的影响，我们开发了所需的方法，我们提出了一个分析方程，用于预测在每个GB配置的比电阻率。此外，在这项工作中，我们还考虑了不同的晶体输运取向和重合位晶格。基于我们的模拟，我们发现，特定的晶界电阻率强烈依赖于传输方向的晶粒，但不是在重合位置晶格（CSL）密度。
In this work, we present a systematic simulation study of numerous copper (Cu) grain boundaries with the nonequilibrium Green's function (NEGF) framework based on the Density Functional Theory (DFT). In order to evaluate the effect of specific resistivity of various grain boundary profiles we developed the required methodology and we proposed an analytical equation for predicting the specific resistivity at each GB configuration. Moreover, in this work we also considered different crystal transport orientations and coincidence site lattices. Based on our simulations, we found that the specific grain boundary resistivity strongly depends on the transport orientations of the grains but not on the coincidence site lattice (CSL) density.