Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and <i>ab initio</i> methods towards the identification of their microscopic origin-Reference-Cited by-同舟云学术

Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin

Published:2023 Issue:34 Volume:15 Page:14215-14226
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Fischer Moritz¹²³^ORCID,Sajid Ali²⁴⁵^ORCID,Iles-Smith Jake⁶^ORCID,Hötger Alexander⁷,Miakota Denys I.¹^ORCID,Svendsen Mark K.⁴,Kastl Christoph⁷^ORCID,Canulescu Stela¹^ORCID,Xiao Sanshui¹²³^ORCID,Wubs Martijn¹²³^ORCID,Thygesen Kristian S.²⁴^ORCID,Holleitner Alexander W.⁷,Stenger Nicolas¹²³^ORCID

Affiliation:

1. Department of Electrical and Photonics Engineering, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

2. Centre for Nanostructured Graphene, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

3. NanoPhoton – Center for Nanophotonics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

4. Department of Physics, Technical University of Denmark, 2800 Kgs. Lynby, Denmark

5. School of Physics and Astronomy, Monash University, Victoria 3800, Australia

6. Department of Electrical and Electronic Engineering, The University of Manchester, Sackville Street Building, Manchester M1 3BB, UK

7. Walter Schottky Institute and Physics Department, Technical University of Munich, 85748 Garching, Germany

Abstract

We narrow down the microscopic origin to 3 out of 26 defect transitions by comparing experiments with ab initio methods and the polaron model. We show excellent agreement between theory and experimental photoluminescence excitation spectroscopy.

Funder

H2020 European Research Council

Danmarks Frie Forskningsfond

Danmarks Grundforskningsfond

Bayerische Forschungsstiftung

Novo Nordisk Fonden

Deutsche Forschungsgemeinschaft

Velux Fonden

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science