Atomistic determination of the magnetic properties of perovskite nanoparticles for biomedical applications.

Nanoparticles --- and in particular magnetic nanoparticles (MNPs) --- have been proposed for improved drug delivery and cancer treatment.
The therapeutic action is based on the radio-frequency (RF) heating of the MNPs which can be delivered deep inside the tissues.
A moderate heating (< 44 C) can promote the apoptosis of the malignant cells without damaging the surrounding tissues.
To this end, manganese oxide MNPs present some advantage with the respect to the widely studied iron oxide MNPS.
Their Curie temperature can be tuned so that the MNP "switch off" before damaging the healthy tissues, as well.
The candidate will model the magnetic properties of selected manganese oxide nanoparticles to determine their magnetic moment and Curie temperature.
The modelling is based on an atomistic description of the interaction between the localised magnetic moment on the Mn atoms.
The atomistic model will be parametrised starting from first principle simulation of the electronic structure of the bulk manganese oxides.
The results of this project will be crucial to determine those properties which are needed to simulate the RF heating of the MNP is solutions.

A collaboration with experimental team at QUB is envisaged and a comparison with their results will also be possible.