We have theoretically designed the half-metallic (HM) antiferromagnets (AFMs) in thiospinel systems, $\rm Mn(CrV)S_{ 4}$ and $\rm Fe_{ 0.5}Cu_{ 0.5}(V_{ 0.5}Ti_{ 1.5})S_{ 4}$, based on the electronic structure studies in the local-spin-density approximation (LSDA). We have also explored electronic and magnetic properties of parent spinel compounds of the above systems; $\rm CuV_{ 2}S_{ 4}$ and $\rm CuTi_{ 2}S_{ 4}$ are found to be HM ferromagnets in their cubic spinel structures, while $\rm MnCr_{ 2}S_{ 4}$ is a ferrimagnetic insulator. We have discussed the feasibility of material synthesis of HM-AFM thiospinel systems.
Categories: cond-mat.mtrl-sci cond-mat.str-el