The d Orbital Multi Pattern Occupancy in a Partially Filled d Shell: The KFeF(3) Perovskite as a Test Case

The occupancy of the d shell in KFeF [Formula: see text] is [Formula: see text] e [Formula: see text] , with five [Formula: see text] and one [Formula: see text] electrons. The Jahn–Teller lift of degeneracy in the [Formula: see text] sub-shell produces a tetragonal relaxation of the unit cell (4.09...

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Detalles Bibliográficos
Autores principales: Pascale, Fabien, Mustapha, Sami, D’Arco, Philippe, Dovesi, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9962142/
https://www.ncbi.nlm.nih.gov/pubmed/36837162
http://dx.doi.org/10.3390/ma16041532

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9962142/
https://www.ncbi.nlm.nih.gov/pubmed/36837162
http://dx.doi.org/10.3390/ma16041532

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