Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Author "Ferrari, Anna Maria"
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Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
Platonenko, Alexander; Gentile, Francesco Silvio; Pascale, Fabien; Ferrari, Anna Maria; D’Amore, Maddalena; Doves, Roberto (Royal Society of Chemistry, 2019)The vibrational infrared (IR) and Raman spectra of seven substitutional defects in bulk silicon are computed, by using the quantum mechanical CRYSTAL code, the supercell scheme, an all electron Gaussian type basis set and ...