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Comment on “Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles” [J. Appl. Phys. 123, 161421 (2018)]

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Recently, Timerkaeva et al. [J. Appl. Phys. 123, 161421 (2018)] reported the results of a first principles study of the di-carbon (CsCi) complex in silicon. The authors have found that… Click to show full abstract

Recently, Timerkaeva et al. [J. Appl. Phys. 123, 161421 (2018)] reported the results of a first principles study of the di-carbon (CsCi) complex in silicon. The authors have found that CsCi may occur in four configurations labeled A, B, C, and D. The C form is claimed to have the lowest energy of all four forms. Based on this, the authors suggest that the C form was misinterpreted as the B form in some experimental studies. This comment provides arguments that the conclusions of Timerkaeva et al. [J. Appl. Phys. 123, 161421 (2018)] do not match the well-known experimental results.Recently, Timerkaeva et al. [J. Appl. Phys. 123, 161421 (2018)] reported the results of a first principles study of the di-carbon (CsCi) complex in silicon. The authors have found that CsCi may occur in four configurations labeled A, B, C, and D. The C form is claimed to have the lowest energy of all four forms. Based on this, the authors suggest that the C form was misinterpreted as the B form in some experimental studies. This comment provides arguments that the conclusions of Timerkaeva et al. [J. Appl. Phys. 123, 161421 (2018)] do not match the well-known experimental results.

Keywords: 161421 2018; phys 123; silicon; 123 161421; appl phys; first principles

Journal Title: Journal of Applied Physics
Year Published: 2018

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