Multiplet structure of chromium( <scp>iii</scp> ) dopants in wide band gap materials
The performance of electronic structure methods in describing the multiplet structure of strongly correlated Cr( iii ) dopants in α-Al 2 O 3 (a), AlB 4 O 6 N (b), and BeAl 2 O 4 at (c) C s - and (d) C i -symmetrized sites is assessed.
Authors
- Ilya S. Popov (ORCID: https://orcid.org/0000-0001-8312-7071)
- Andrei L. Tchougréeff (ORCID: https://orcid.org/0000-0002-8077-1168)
- Katherine Inzani (ORCID: https://orcid.org/0000-0002-3117-3188)
- Elena Besley
- Petros Panagis Filippatos
- Shayantan Chaudhuri
Institutions
- University of Nottingham (GB)
- Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences (RU)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-12-24
- DOI
- https://doi.org/10.1039/d5tc03978a
- Primary Topic
- Copper-based nanomaterials and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00