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1 Liu, FengFirst-principles calculation of interaction between interstitial O and As dopant in heavily As-doped SiWe investigate the interaction between interstitial oxygen (Oi) and As dopant in heavily As-doped Si using first-principles total-energy calculations. The interaction between Oi and As (substitutional) is found to be short ranged. The most stable configuration is with As and Oi as second nearest nei...First-principles calculation; Interstitial oxygen; As dopant; As-doped Si; Oxygen diffusion; Oi2007
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