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Colasuonno F, Gentile FS, Mackrodt W, et al. Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra. J Chem Phys. 2020;153(2):024119doi: 10.1063/5.0014368.
Colasuonno, F., Gentile, F. S., Mackrodt, W., Ferrari, A. M., Platonenko, A., & Dovesi, R. (2020). Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra. The Journal of chemical physics, 153(2), 024119. https://doi.org/10.1063/5.0014368
Colasuonno, Fabio, et al. "Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra." The Journal of chemical physics vol. 153,2 (2020): 024119. doi: https://doi.org/10.1063/5.0014368
Colasuonno F, Gentile FS, Mackrodt W, Ferrari AM, Platonenko A, Dovesi R. Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra. J Chem Phys. 2020 Jul 14;153(2):024119. doi: 10.1063/5.0014368. PMID: 32668934.
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J Chem Phys. 2020 Jul 14;153(2):024119. doi: 10.1063/5.0014368.

Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra.

The Journal of chemical physics

Fabio Colasuonno, Francesco Silvio Gentile, William Mackrodt, Anna Maria Ferrari, Alexander Platonenko, Roberto Dovesi

Affiliations

  1. Dipartimento di Chimica, Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre, Via P. Giuria 5, 10125 Torino, Italy.
  2. Institute of Solid State Physics, University of Latvia, 8 Kengaraga Street, LV1063 Riga, Latvia.

PMID: 32668934 DOI: 10.1063/5.0014368

Abstract

The local geometry, electronic structure, and vibrational features of three vicinal double interstitial defects in diamond, I

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