Electronic and vibrational properties of magnetic core-shell nanoparticles

Magnetic nanoparticles (MNPs) are of interest because their ability to convert electromagnetic energy into heat is of potential value in drug release, cancer therapy, and remote control of single cell functions. In the present paper, we focus our attention on TiO₂-coated metallic magnetic core-shell nanoparticles (NPs) because of the high biocompatibility of TiO₂. Our study of the electronic and spectral properties of these NPs indicates that the nature of the encapsulated metallic system has a profound influence on both their absorption and vibrational spectra. This observation is of interest because the efficacy of the energy transfer to the external environment of these systems is intricately related to the nature of coupling of the electronic levels to the vibrational modes.