Abstract
AbstractThe phenomena of impurities in Si in thermal equilibrium can be described on an atomistic scale. This model can statistically estimate the thermal equilibrium concentrations and the distribution of any metallic contamination atoms in advanced wafer structures if the gettering site densities in the wafer and their binding energies for the metallic impurity atoms are known. This model has the advantage that gettering phenomena can be calculated based on ab initio calculation results. Ab initio calculations indeed allow calculating the binding energy of any kind of contamination atom at any position in crystals without the need to perform extensive experiments. The model is illustrated for the gettering of Cu atoms in a p‐type Si double layer structure consisting of a moderately B‐doped layer, the “device layer,” and a heavily B‐doped layer, the “substrate.” By using this statistical approach, we can also predict Cu solubility in Si wafers for various B‐doping levels without the assumption of any solubility data in a previously‐known doping level, as is typically found in the literature. The calculated results show good agreement with published experimental observations. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Published Version
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