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Multi-Timescale Microscopic Theory for Radiation Degradation of Electronic and Optoelectronic Devices

机译:电子和光电子器件辐射降解的多时标微观理论

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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 ultra-fast 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 thicknesses of hundreds of times the 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, defect-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, photo-detectors, light-emitting diodes and solar cells and in the development of effective mitigation methods during their microscopic structure design stages.
机译:提出了一个多时间尺度的混合模型,以微观方式研究电子设备的性能下降,涵盖了辐射效应研究的三个独立阶段,包括超快速位移级联,中间缺陷稳定和团簇形成以及缓慢的缺陷反应和迁移。实际的原子间电势在分子动力学计算中用于前两个阶段(最高达100 ns)以及由厚度为晶格常数数百倍的层组成的系统。将各个层的这些准稳态结果输入到速率扩散理论中作为初始条件,以计算介观尺度层状结构系统中点缺陷的稳态分布,包括平面偏置位错环和球形中性空隙,时间更长。在用于指定点缺陷电子特性的密度泛函理论的协助下,在研究电子和光电器件的退化时,例如载流子动量松弛时间,缺陷介导的非电子缺陷,考虑了这些缺陷和簇的最终空间分布。 -辐射复合,电子的缺陷辅助隧穿以及缺陷或带电缺陷的拉曼散射。期望进行这样的理论研究对于充分理解识别缺陷种类的物理机制,场效应晶体管,光电检测器,发光二极管和太阳能电池的性能下降以及在其微观结构中开发有效的缓解方法至关重要。设计阶段。

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