On the Models for the Investigation of Charged Defects in Solids: The Case of the VN– Defect in Diamond-Reference-Cited by-同舟云学术

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

Published:2019-05-13 Issue:22 Volume:123 Page:4806-4815
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dovesi Roberto¹^ORCID,Gentile Francesco Silvio²^ORCID,Ferrari Anna Maria²^ORCID,Pascale Fabien³,Salustro Simone¹^ORCID,D’Arco Philippe⁴

Affiliation:

1. Dipartimento di Chimica, Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre, Via P. Giuria 5, 10125 Torino, Italy

2. Dipartimento di Chimica, Università di Torino, Via P. Giuria 5, 10125 Torino, Italy

3. Université de Lorraine – Nancy, CNRS, Laboratoire de Physique et Chimie Théoriques, UMR 7019, Vandœuvre-lès-Nancy, 54506 France

4. Institut des Sciences de la Terre Paris, ISTeP, UMR 7193, Sorbonne Université, CNRS-INSU, F-75005 Paris, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b03233

Reference34 articles.

1. Electrostatics in periodic boundary conditions and real-space corrections

2. Electrostatic interactions between charged defects in supercells

3. Periodic boundary conditions inab initiocalculations

4. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

5. The Problem of the Two Types of Diamond

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ensemble Negatively-Charged Nitrogen-Vacancy Centers in Type-Ib Diamond Created by High Fluence Electron Beam Irradiation;Quantum Beam Science;2021-12-30

2. Hunting the elusive shallow n-type donor – An ab initio study of Li and N co-doped diamond;Carbon;2021-01

3. The NV−⋯N+ charged pair in diamond: a quantum-mechanical investigation;Physical Chemistry Chemical Physics;2021

4. N2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties;Journal of Materials Chemistry C;2020

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