Informace o publikaci
Quantum mechanical analysis of complex ferrimagnetic states in iron oxide nanoparticles
| Autoři | |
|---|---|
| Rok publikování | 2025 |
| Druh | Konferenční abstrakty |
| Fakulta / Pracoviště MU | |
| Citace | |
| Popis | Maghemite (?-Fe2O3) is a biocompatible ferrimagnetic iron oxide that crystallizes in an inverse spinel lattice and can be viewed as magnetite (Fe3O4) with iron vacancies. Iron oxide nanoparticles related to maghemite have numerous applications in the biomedical field thanks to the combination of their magnetic properties, biocompatibility, low cytotoxicity and small size. Density functional theory calculations were employed to examine the local magnetic moments of individual atoms in two maghemite-related nanoparticles. Our calculations for the nanoparticles were inspired by bulk maghemite ?-Fe2O3, where tetrahedrally and octahedrally coordinated Fe sublattices have opposing orientations of local magnetic moments. Importantly, our results show that the nanoparticle surfaces create far more complex magnetic states compared to the magnetic ordering found in bulk. These complex magnetic states were described as "nested" ferrimagnetism, which is characterized by local magnetic moments of Fe atoms with mutually opposite orientations appearing even within each of the two (tetrahedral or octahedral) sublattices. |