New Type of Defects Explored by Theory: Silicon Interstitial Clusters in SiC
We have studied the small clusters of silicon and carbon interstitials by ab initio supercell calculations in 4H-SiC. We found that silicon interstitials can form stable and electrically active complexes with each other or with a carbon interstitial. Local vibration modes and ionization energies were also calculated in order to help the identification of the defects. We propose that silicon interstitials can emit from these clusters at relatively high temperatures, which may play an important role in the formation of the DI center.
Akira Suzuki, Hajime Okumura, Tsunenobu Kimoto, Takashi Fuyuki, Kenji Fukuda and Shin-ichi Nishizawa
A. Gali et al., "New Type of Defects Explored by Theory: Silicon Interstitial Clusters in SiC", Materials Science Forum, Vols. 600-603, pp. 413-416, 2009