Simulation of Single Particle Displacement Damage in Silicon – Part III: First Principles Characterization of Defect Properties
Résumé
A first principles study of the defects generated by displacement cascades in silicon is performed. This work is particularly focused on two defect configurations; the di-vacancy and the tri-interstitial, both identified in previous Molecular Dynamics (MD) and kinetic Activation Relaxation Technique (k-ART) simulations [1, 2]. By combining structural, energy and migration properties evaluated within the framework of the standard Density Functional Theory (DFT) and electronic properties calculated within the G 0 W 0 approximation, a reconstruction of the corresponding thermally-activated electrical signal generated by each defect is obtained. Their contribution to Dark Current (DC) and Dark Current Random Telegraph Signal (DC-RTS) measured in image sensors is then discussed.
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