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arXiv 1409.4367cond-mat.mtrl-sci
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电子和光电子器件辐射退化的多时间尺度微观理论

Multi-timescale microscopic theory for radiation degradation of electronic and optoelectronic devices

Danhong Huang, Fei Gao, D. A. Cardimona

摘要:

本文提出了一个多时间尺度的混合模型来研究电子器件的微观性能退化,该模型涵盖了辐射效应研究的三个独立阶段,包括超快位移级联、中间缺陷稳定化和团簇形成以及慢缺陷反应和迁移。在分子动力学计算中,采用了实原子间相互作用势,计算了前两个阶段(100 ns)以及由几百倍晶格常数的层组成的系统.这些准稳态的结果,为个别层输入到一个速率扩散理论作为初始条件,以计算在一个介观尺度的层状结构系统,包括平面偏置位错环和球形中性空隙,在一个更长的时间尺度上的点缺陷的稳态分布。借助于用于描述点缺陷的电子性质的密度泛函理论,在研究电子和光电子器件的退化时考虑了这些缺陷和团簇的所得空间分布,例如,载流子动量弛豫时间、缺陷介导的非辐射复合、电子的缺陷辅助隧穿以及缺陷或带电缺陷拉曼散射。这种理论研究预计将是至关重要的,在充分理解的物理机制,识别缺陷物种,性能退化的场效应晶体管,光电探测器,发光二极管和太阳能电池,并在有效的缓解方法的发展,在其微观结构设计阶段。

英文摘要:

A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect stabilization and cluster formation, as well as slow defect reaction and migration. Realistic interatomic potentials are employed in molecular-dynamics calculations for the first two stages up to 100\,ns as well as for the system composed of layers with thickness of hundreds times of lattice constant. These quasi-steady-state results for individual layers are input into a rate-diffusion theory as initial conditions to calculate the steady-state distribution of point defects in a mesoscopic-scale layered-structure system, including planar biased dislocation loops and spherical neutral voids, on a much longer time scale. Assisted by the density-functional theory for specifying electronic properties of point defects, the resulting spatial distributions of these defects and clusters are taken into account in studying the degradation of electronic and optoelectronic devices, e.g., carrier momentum-relaxation time, defect-mediated non-radiative recombination, defected-assisted tunneling of electrons and defect or charged-defect Raman scattering as well. Such theoretical studies are expected to be crucial in fully understanding the physical mechanism for identifying defect species, performance degradations in field-effect transistors, photodetectors, light-emitting diodes and solar cells, and in the development of effective mitigation methods during their microscopic structure design stages.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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