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)]

Dilyara Timerkaeva (1) , Claudio Attaccalite (2, 3) , Gilles Brenet (1) , Damien Caliste (1) , Pascal Pochet (1)

1 LSIM - Laboratory of Atomistic Simulation
2 NEEL - TMC - Théorie de la Matière Condensée
3 CINaM - Centre Interdisciplinaire de Nanoscience de Marseille

In this Reply, we discuss the relative stability of different forms of C i C s complexes. Based on the extended sections of IR absorption spectra reported by Lavrov [Lavrov2018] in his Comment, we identify that the C form is stabilized transiently in FZ-silicon during and just after electron irradiation. For 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 Cz-silicon after neutron irradiation [Sgourou2013]. We attribute this apparent discrepancy to a vacancy-induced C i C s dissolution mechanism that drives the electron irradiated sample in a non-equilibrium state that differs from the equilibrium state predicted by DFT calculations [Timerkaeva2018]. In the neutron irradiation experiment, the generated vacancies are trapped by oxygen interstitial allowing the thermodynamics equilibrium to be preserved.

Domaines: Physique [physics]; Matière Condensée [cond-mat]

Dilyara Timerkaeva, Claudio Attaccalite, Gilles Brenet, Damien Caliste, Pascal Pochet. 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)]. Journal of Applied Physics, 2018, 124 (8), pp.086102. ⟨10.1063/1.5044186⟩. ⟨hal-01972471⟩