Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124, 086101 (2018)].

In this reply, we discuss the relative stability of different forms of CiCs complexes. Based on the extended sections of IR absorption spectra reported by Lavrov [J. Appl. Phys. 124, 086101 (2018)] in his comment, we identify that the C form is stabilized transiently in Float-Zone (FZ)-silicon during and just after electron irradiation. For a longer time at room temperature, the C form disappears at the expense of the B form. Nonetheless, the C form was found to be stable up to 280 °C in Czochralski (Cz)-silicon after neutron irradiation [E. N. Sgourou et al., J. Appl. Phys. 113, 113506 (2013)]. We attribute this apparent discrepancy to a vacancy-induced CiCs dissolution mechanism that drives the electron irradiated sample in a non-equilibrium state that differs from the equilibrium state predicted by density functional theory (DFT) calculations [D. Timerkaeva et al., J. Appl. Phys. 123, 161421 (2018)]. In the neutron irradiation experiment, the generated vacancies are trapped by oxygen interstitial allowing the thermodynamics equilibrium to be preserved. [ABSTRACT FROM AUTHOR]
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