Marie Sklodowska-Curie Doctoral Network: MaGnesium alloys for effICient solId stAte cooliNg (MGICIAN)

This project aims to develop advanced thermoelectric cooling technologies using innovative magnesium-based materials, while nurturing the next wave of research leaders and entrepreneurs. The PhD project based at King's College London focuses on modelling and optimising thermoelectric properties of Mg-based materials and their interfaces with metallic contacts using computer simulations. The project will predict the effects of experimentally realised alloy compositions and defects on thermoelectric transport properties, characterise interfaces between thermoelectric materials and metallic contacts, and calculate electrical and thermal interface resistances. The successful PhD candidate will have the opportunity to work in collaboration with other members of the Doctoral Network and conduct three short-term visits (2 months each) to experimental labs in Spain and Ireland, and III-V Lab in France. The project involves using state-of-the-art electronic structure methods based on density functional theory, nudged elastic band method for diffusive processes, Boltzmann transport equation for transport properties, and Green's function methods for interface resistivities.