Gentile, Francesco S.; Platonenko, Alexander; El‐Kelany, Khaled E.; Rérat, Michel; D'Arco, Philippe; Dovesi, Roberto (Wiley-VCH GmbH, 2020)
The infrared (IR) and Raman spectra of eight substitutional carbon defects in silicon are computed at the quantum mechanical level by using a periodic supercell approach based on hybrid functionals, an all electron Gaussian ...