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Defect reaction network in C-doped GaAs: Numerical predictions

Schultz, Peter A.

This Report characterizes the defect reaction network in carbon doped, p-type GaAs deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in C-doped GaAs until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the carbon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in: P.A. Schultz and O.A. von Lilienfeld, “Simple intrinsic defects in GaAs”, Modelling Simul. Mater. Sci Eng., Vol. 17, 084007 (2009) and its numerical supplement in SAND 2012-2675, and the preliminary carbon defect network results in: P.A. Schultz, “First-principles defect chemistry for modeling irradiated GaAs and III-V semiconductors”, J. Rad. Effects, Res. and Eng. Vol. 30, p257 (2012).

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TYPE SAND Report YEAR 2012
DOIOSTI
Results 7076–7100 of 9,998
Results 7076–7100 of 9,998