First-principles investigation of the alloy scattering potential in dilute Si1-xCx

Vaughan, Martin P.; Murphy-Armando, Felipe; Fahy, Stephen B.

First-principles investigation of the alloy scattering potential in dilute Si1-xCx

Files

PhysRevB.85.165209.pdf(464.9 KB)

Published Version

Date

2012-04-23

Authors

Vaughan, Martin P.

Murphy-Armando, Felipe

Fahy, Stephen B.

Publisher

American Physical Society

Published Version

10.1103/PhysRevB.85.165209

Abstract

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.

Keywords

SI1-YCY , Substitutional-carbon pair , Quasi-Newton methods , Interstitial carbon , Pressure coefficients , Band-gaps , Silicon , Resistivity , Transport , Defects

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