First-principles theory of the nitrogen interstitial in hBN: a plausible model for the blue emitter-Reference-Cited by-同舟云学术

First-principles theory of the nitrogen interstitial in hBN: a plausible model for the blue emitter

Published:2024 Issue:8 Volume:16 Page:4125-4139
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Ganyecz Ádám¹²^ORCID,Babar Rohit¹²^ORCID,Benedek Zsolt¹²^ORCID,Aharonovich Igor³⁴^ORCID,Barcza Gergely¹²^ORCID,Ivády Viktor²⁵⁶^ORCID

Affiliation:

1. Strongly Correlated Systems Lendület Research Group, Wigner Research Centre for Physics, H-1525, Budapest, Hungary

2. MTA-ELTE Lendület “Momentum” NewQubit Research Group, Pázmány Péter, Sétány 1/A, 1117 Budapest, Hungary

3. School of Mathematical and Physical Sciences, Faculty of Science, University of Technology Sydney, Ultimo, New South Wales 2007, Australia

4. ARC Centre of Excellence for Transformative meta-Optical Systems (TMOS), Faculty of Science, University of Technology Sydney, Ultimo, New South Wales 2007, Australia

5. Department of Physics of Complex Systems, Eötvös Loránd University, Egyetem tér 1-3, H-1053 Budapest, Hungary

6. Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden

Abstract

We elaborate on the methodology of computing color centers in periodic and cluster models of hBN. Using first-principles methods, we determined various optical properties of the nitrogen interstitial defect and compared them to experimental results.

Funder

Nemzeti Kutatási, Fejlesztési és Innovaciós Alap

Australian Research Council

Office of Naval Research Global

Knut och Alice Wallenbergs Stiftelse

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NR/D3NR05811E

Reference60 articles.

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