An ab-initio study of self-interstitial defect evolution in 4H-SiC crystal structure

Document Type : Full length research Paper


1 Physics & Accelerators School, Nuclear Science and Technology Research Institute, AEOI, Tehran .Iran

2 Physics and Accelerators School, Nuclear Science and Technology Research Institute, Atomic Energy Organization of Iran, Tehran, Iran


Macroscopic effects of radiation damage are due to the superposition of initial damages at atomic scale. Using ab-initio molecular dynamics, the effect of point defects on the electronic and structural properties of 4H-SiC was evaluated. According to the results, the position of the defect was the most important factor in the mentioned properties. Based on the ab-initio molecular dynamics, it was depicted that the Frenkel pair recombination occurs only if the hole and defect are close enough (about a lattice constant). It was observed that recombination will happen during 120 to 1600 femtoseconds for carbon and silicon Frenkel pairs, respectively. If recombination does not occur, trap states appear in the energy gap, which can reduce the detector’s efficiency.


Main Subjects

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