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Spin–orbit coupling and Jahn–Teller effect in T(d) symmetry: an ab initio study on the substitutional nickel defect in diamond

We analyse the spin–orbit and Jahn–Teller interactions in [Formula: see text] symmetry that are relevant for substitutional transition metal defects in semiconductors. We apply our theory to the substitutional nickel defect in diamond and compute the appropriate fine-level structure and magneto-opti...

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Detalles Bibliográficos
Autores principales: Thiering, Gergő, Gali, Adam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2024
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10693979/
https://www.ncbi.nlm.nih.gov/pubmed/38043577
http://dx.doi.org/10.1098/rsta.2022.0310