N2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties-Reference-Cited by-同舟云学术

N2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties

Published:2020 Issue:15 Volume:8 Page:5239-5247
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Di Palma Giulio¹²³⁴^ORCID,Gentile Francesco Silvio¹²³⁴^ORCID,Lacivita Valentina⁵⁶⁷⁸⁹^ORCID,Mackrodt William C.¹²³⁴^ORCID,Causà Mauro¹⁰¹¹¹²¹³⁴^ORCID,Dovesi Roberto¹²³⁴^ORCID

Affiliation:

1. Dipartimento di Chimica

2. Università di Torino

3. 10125 Torino

4. Italy

5. Advanced Materials Lab

6. Samsung Research America

7. Burlington

8. USA

9. Sorbonne Universités

10. Dipartimento di Ingengeria Chimica

11. Dei Materiali e delle Produzioni Industriali DICMAPI

12. Università degli Studi di Napoli Federico II

13. Napoli

Abstract

Structural, EPR and vibrational characterization of the N₂, N+2 and N++2 defects in diamond from ab initio quantum-mechanical calculations with the CRYSTAL code.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/TC/D0TC00301H

Reference43 articles.

1. Ab initioinvestigation of the native defects in diamond and self-diffusion

2. Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis

3. Modelling of interstitial-related defects in diamond

4. On the Models for the Investigation of Charged Defects in Solids: The Case of the VN– Defect in Diamond

5. Extended defects in diamond: The interstitial platelet

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