Defect dynamics in the presence of excess energetic carriers and high electric fields in wide-gap semiconductors

Andrew O’Hara, Ronald D. Schrimpf, Daniel M. Fleetwood, Sokrates T. Pantelides
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Abstract

Irradiation of semiconductors by energetic beams generates excess electrons and holes and may cause device degradation or failure. Both gradual degradation by total ionizing radiation (TID) and sudden degradation/failure (soft/hard breakdown) by a combination of energetic heavy ions and high voltages (typically single-event effects or SEEs) are mediated by excess carriers. The role of defect dynamics in TID degradation has been adequately understood by a combination of experiments and density-functional-theory (DFT) quantum calculations, but little has been done so far to document a role for ion-induced defects in SEE. Here, we report proof-of-principle DFT calculations in a model cubic GaN system for two defect-related excess-carrier phenomena that can play a role in various forms of device degradation and failure. The first phenomenon is the existence, dynamics, and potential roles of defect-induced quasi-localized “resonant states” in the energy-band continua. These states can enhance TID-excess-carrier and hot-carrier degradation. Furthermore, they evolve and multiply during energetic-ion-induced atom recoils and defect creation (displacement damage) and can potentially serve as excess-carrier conduction paths in SEE. The second phenomenon is the conversion of isolated vacancies into nanovoids that can participate in the formation of conducting defect “nanowires” dressed by resonances or in explosive SEE hard breakdowns.
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宽隙半导体中存在过量高能载流子和高电场时的缺陷动力学
高能束辐照半导体会产生过量电子和空穴,并可能导致器件降解或失效。无论是全电离辐射(TID)导致的渐进降解,还是高能重离子和高电压组合导致的突然降解/失效(软/硬击穿)(典型的单次事件效应或 SEE),都是由过剩载流子介导的。缺陷动力学在 TID 降解中的作用已通过实验和密度泛函理论(DFT)量子计算得到充分理解,但迄今为止,在记录离子诱导缺陷在 SEE 中的作用方面所做的工作还很少。在此,我们报告了在一个模型立方氮化镓系统中对两种与缺陷相关的过剩载流子现象进行的原理性 DFT 计算,这两种现象可能在各种形式的器件降解和失效中发挥作用。第一种现象是能带连续体中缺陷诱导的准局域 "共振态 "的存在、动力学和潜在作用。这些态会增强 TID 超载流子和热载流子降解。此外,在高能离子诱导的原子反冲和缺陷产生(位移损伤)过程中,这些态会发生演变和增殖,并有可能成为 SEE 中的过剩载流子传导路径。第二种现象是孤立空位转化为纳米空位,它们可参与形成由共振或爆炸性 SEE 硬击穿穿戴的导电缺陷 "纳米线"。
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