Rh-based Double Perovskites with Unusual Properties: A computer prediction

Using a combination of computational tools involving genetic algorithm, denisty functional theory and finite temperature Monte Carlo simulation, we make prediction on yet-to-be synthesized Rh-based double perovskites with novel properties.
Interestingly while some of the predicted compounds show half-metallic ferromagnetic behavior, the rest show rare antiferromagnetic metallic properties. This makes this series of compounds a promising class of magnetic materials
which need to be synthesized and investigated further.