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The influences of Ge and C impurities on the reactions between atomic hydrogen and Si(001) surfaces have been analyzed using the quantum chemical calculations based on the cluster model. In the case of the Ge impurity, Ge-Si back-bonds were shown to be easily broken by attacks of atomic hydrogen: the activation energies were estimated to be 0.2-0.4eV. On the other hand, in the case of the C impurity,...