Citation:VAUGHAN, M. P., MURPHY-ARMANDO, F. & FAHY, S. 2012. 'First-principles investigation of the alloy scattering potential in dilute Si1-xCx'. Physical Review B, 85, 165209. doi:10.1103/PhysRevB.85.165209
A first-principles method is applied to find the intra and intervalley n-type carrier scattering rates for substitutional carbon in silicon. The method builds on a previously developed first-principles approach with the introduction of an interpolation technique to determine the intravalley scattering rates. Intravalley scattering is found to be the dominant alloy scattering process in Si1-xCx, followed by g-type intervalley scattering. Mobility calculations show that alloy scattering due to substitutional C alone cannot account for the experimentally observed degradation of the mobility. We show that the incorporation of additional charged impurity scattering due to electrically active interstitial C complexes models this residual resistivity well.
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