硅材料和二极管的单粒子位移损伤的多尺度模拟研究

Multi-scale Simulation of Single Particle Displacement Damage in Silicon and Diode

  • 摘要: 基于二体碰撞近似理论(BCA),应用分子动力学(MD)和动力学蒙特卡罗(KMC)方法相结合的多尺度模拟方法,研究了单粒子位移损伤(SPDD)缺陷及电流的演化过程。研究结果表明,SPDD事件中引起的缺陷在106 s内分为3个阶段:阶段Ⅰ(1×10-11 s≤t<2×10-3 s)以点缺陷成团为主;阶段Ⅱ(2×10-3 s ≤t<2×102 s)中以缺陷团内部的间隙原子和空位复合反应为主;阶段Ⅲ(t≥2×102 s)中以小缺陷团发射间隙原子和空位为主。提出一种计算粒子在硅二极管中引起的SPDD电流的方法,推导了多种缺陷存在时引起的二极管反向电流增加的计算公式。基于KMC模拟的位移损伤缺陷演化结果,计算了光电二极管的SPDD电流密度及归一化退火因子。结果表明,KMC模拟计算的退火因子与文献实验测量结果相一致,建立的多尺度模拟方法可预估硅器件的SPDD电流。

     

    Abstract: Based on binary collision approximation (BCA), combining molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations, a multi-scale simulation method was proposed to investigate the long-term evolution of defect and current induced by single particle displacement damage (SPDD). Within the studied time scale (106 s), three stages for defect evolution can be identified: In stage Ⅰ (1×10-11 s≤t<2×10-3 s) many point defects are captured by defect cluster; in stage Ⅱ (2×10-3 s ≤t<2×102 s) a great number of interstitials and vacancies in defect cluster recombine; in stage Ⅲ (t≥2×102 s) the number of defect tends to be stable, with only few small defect clusters emitting single interstitials or vacancies slowly. A novel method was proposed to calculate the heavy ion induced SPDD current for silicon device, and expressions are derived for calculating the increase of dark current of photodiodes induced by multiple types of defects. Based on the result of the evolution of the displacement damage defects, the SPDD current and its annealing factor were calculated. The annealing factor is consistent with the literature experiment result, indicating that the method developed could be used to evaluate SPDD current in silicon device.

     

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