Quantum modelling of materials applied to half-metallic ferromagnets

Aim of project
This project is a study of efficiency of solid state physics quantum computational methods in the search for new half-metallic ferromagnets (materials with 100% spin polarisation) composed of alkaline earth elements with III/IV elements (like boron or carbon) of the periodic table. Preliminary abinitio density functional theory (DFT) computations indicate the possibility of half-metallic ferromagnetism with Curie temperatures in the range of room temperature. This is a new type of ferromagnetism induced by a crystalline structure with relatively large lattice constants, theoretically expected but not yet experimentally discovered, with important basic and practical implications for spin electronics and quantum computing.

Expected results
Technological efforts to synthesise the mentioned materials will follow theoretical predictions.