通过蒙特卡洛多尺度模拟与激发态第一性原理计算解释硅双极结型晶体管的辐照协同效应机制
The mechanism of the irradiation synergistic effect of Silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle calculations
AI总结：
针对硅双极结型晶体管辐照协同效应机制不明确、现有模型缺陷反应假设未验证的问题，本研究开发多尺度模拟方法结合激发态第一性原理计算直接表征γ射线效应，验证了相关模型并提出ISE机制的扩散定性解释。
摘要：
研究发现中子与γ射线对晶体管的辐照损伤不具有可加性，这一现象被称为辐照协同效应（ISE），其作用机制目前尚未被充分理解。近期针对硅双极结型晶体管（BJT）提出的基于缺陷的模型[ACS Appl. Electron. Mater. 2, 3783 (2020)]虽与实验结果达到定量吻合，但其关于缺陷反应的假设尚未得到验证。要突破该模型的局限，需要在第一性原理计算中直接表征γ射线辐照的效应，而这在之前是无法实现的。本研究开发了一种用于γ射线辐照模拟的多尺度方法，在激发态第一性原理计算中明确处理γ射线诱导的电子激发，以此检验ISE的基于缺陷的模型。研究发现计算结果与实验一致，且γ射线诱导激发的效应与缺陷电荷态、温度的效应存在显著差异。最后，本文提出了一种基于扩散的定性解释，用于说明NPN/PNP型BJT中正/负ISE的机制。
英文摘要：
Neutron and $γ$-ray irradiation damages to transistors are found to be non-additive, and this is denoted as the irradiation synergistic effect (ISE). Its mechanism is not well-understood. The recent defect-based model [ACS Appl. Electron. Mater. 2, 3783 (2020)] for Silicon bipolar junction transistors (BJT) achieve quantitative agreement with experiments, but its assumptions on the defect reactions are unverified. Going beyond the model requires directly representing the effect of $γ$-ray irradiation in first-principles calculations, which is not feasible previously. In this work, we examine the defect-based model of the ISE by developing a multiscale method for the simulation of the $γ$-ray irradiation, where the $γ$-ray-induced electronic excitations are treated explicitly in excited-state first-principles calculations. We find the calculations agree with experiments, and the effect of the $γ$-ray-induced excitation is significantly different from the effects of defect charge state and temperature. We propose a diffusion-based qualitative explanation of the mechanism of positive/negative ISE in NPN/PNP BJTs in the end.
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