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Platonenko, Alexander, Gentile, Francesco Silvio, Pascale, Fabien, Ferrari, Anna Maria, D’Amore, Maddalena, Dovesi, Roberto (2019) Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties. Physical Chemistry Chemical Physics, 21 (37). 20939-20950 doi:10.1039/c9cp03185e

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Reference TypeJournal (article/letter/editorial)
TitleNitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
JournalPhysical Chemistry Chemical Physics
AuthorsPlatonenko, AlexanderAuthor
Gentile, Francesco SilvioAuthor
Pascale, FabienAuthor
Ferrari, Anna MariaAuthor
D’Amore, MaddalenaAuthor
Dovesi, RobertoAuthor
Year2019Volume21
Issue37
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c9cp03185eSearch in ResearchGate
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Mindat Ref. ID4037781Long-form Identifiermindat:1:5:4037781:4
GUID0
Full ReferencePlatonenko, Alexander, Gentile, Francesco Silvio, Pascale, Fabien, Ferrari, Anna Maria, D’Amore, Maddalena, Dovesi, Roberto (2019) Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties. Physical Chemistry Chemical Physics, 21 (37). 20939-20950 doi:10.1039/c9cp03185e
Plain TextPlatonenko, Alexander, Gentile, Francesco Silvio, Pascale, Fabien, Ferrari, Anna Maria, D’Amore, Maddalena, Dovesi, Roberto (2019) Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties. Physical Chemistry Chemical Physics, 21 (37). 20939-20950 doi:10.1039/c9cp03185e
In(2019) Physical Chemistry Chemical Physics Vol. 21 (37) Royal Society of Chemistry (RSC)

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Ferrari, Anna Maria, El-Kelany, Khaled E., Gentile, Francesco Silvio, D’Amore, Maddalena, Dovesi, Roberto (2021) The NV−⋯N+ charged pair in diamond: a quantum-mechanical investigation. Physical Chemistry Chemical Physics, 23 (34) 18724-18733 doi:10.1039/d1cp02363b
Colasuonno, Fabio, Gentile, Francesco Silvio, Mackrodt, William, Ferrari, Anna Maria, Platonenko, Alexander, Dovesi, Roberto (2020) Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra. The Journal of Chemical Physics, 153 (2) 24119pp. doi:10.1063/5.0014368
Platonenko, Alexander, Colasuonno, Fabio, Gentile, Francesco Silvio, Pascale, Fabien, Dovesi, Roberto (2021) Oxygen and vacancy defects in silicon. A quantum mechanical characterization through the IR and Raman spectra. The Journal of Chemical Physics, 154 (17) 174707pp. doi:10.1063/5.0044106
Ferrari, Anna Maria, Salustro, Simone, Gentile, Francesco Silvio, Mackrodt, William C., Dovesi, Roberto (2018) Substitutional nitrogen in diamond: A quantum mechanical investigation of the electronic and spectroscopic properties. Carbon, 134. 354-365 doi:10.1016/j.carbon.2018.03.091
Platonenko, Alexander, Gentile, Francesco Silvio, Pascale, Fabien, D'Arco, Philippe, Dovesi, Roberto (2021) Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra. Journal of Computational Chemistry, 42 (12) 806-817 doi:10.1002/jcc.26500
Di Palma, Giulio, Kirtman, Bernard, Gentile, Francesco Silvio, Platonenko, Alexander, Ferrari, Anna Maria, Dovesi, Roberto (2020) The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response. Carbon, 159. 443-450 doi:10.1016/j.carbon.2019.12.031
Ferrari, Anna Maria, D'Amore, Maddalena, El-Kelany, Khaled E., Gentile, Francesco Silvio, Dovesi, Roberto (2022) The NV0 defects in diamond: A quantum mechanical characterization through its vibrational and Electron Paramagnetic Resonance spectroscopies. Journal of Physics and Chemistry of Solids, 160. 110304pp. doi:10.1016/j.jpcs.2021.110304
Gentile, Francesco Silvio, Salustro, Simone, Desmarais, Jacques Kontak, Ferrari, Anna Maria, D'Arco, Philippe, Dovesi, Roberto (2018) Vibrational spectroscopy of hydrogens in diamond: a quantum mechanical treatment. Physical Chemistry Chemical Physics, 20 (17). 11930-11940 doi:10.1039/c8cp00596f
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Platonenko, Alexander, Pascale, Fabien, El-Kelany, Khaled E., Gentile, Francesco Silvio, Dovesi, Roberto (2022) The effect of charge and spin state on the Infrared spectra and hyperfine coupling constants of point defects in Silicon. Physica B: Condensed Matter, 626. 413499pp. doi:10.1016/j.physb.2021.413499
Salustro, Simone, Colasuonno, Fabio, Ferrari, Anna Maria, D'Amore, Maddalena, Mackrodt, William C., Dovesi, Roberto (2019) Substitutional boron and nitrogen pairs in diamond. A quantum mechanical vibrational analysis. Carbon, 146. 709-716 doi:10.1016/j.carbon.2019.01.072
 
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