Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Author "D'Arco, Philippe"
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Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra
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 ...