Ab-initio study of the beta Fe2O3 phase
Ab-initio study of the beta Fe2O3 phase
We present first-principles results on the electronic and magnetic properties of the cubic bulk $\beta$-phase of iron(III) oxide (Fe$_2$O$_3$). Given that all Fe-Fe magnetic couplings are expected to be antiferromagnetic within this high-symmetry crystal structure, the system may exhibit some signature of magnetic frustration, making it challenging to identify its …