The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

The crystal symmetries, electronic structures, and magnetic properties of metal–organic VNU-15 frameworks (VNU = Vietnam National University) were investigated using density functional calculations (DFT) with an on-site Coulomb repulsion approximation, U(eff), of 4.30 eV, determined via the linear r...

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Detalles Bibliográficos
Autores principales: Dang, Diem Thi-Xuan, Dong, Hieu Cao, Kawazoe, Yoshiyuki, Kuo, Jer-Lai, Nguyen-Manh, Duc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056818/
https://www.ncbi.nlm.nih.gov/pubmed/35514422
http://dx.doi.org/10.1039/d0ra05865c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056818/
https://www.ncbi.nlm.nih.gov/pubmed/35514422
http://dx.doi.org/10.1039/d0ra05865c

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