Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling

Recent study (Yuan et. al., Phys. Rev. B 102, 014422 (2020)) revealed a SOC-independent spin splitting and polarization effect induced by antiferromagnetic ordering which do not necessarily require breaking of inversion symmetry or the presence SOC, hence can exist even in centrosymmetric, low-Z light element compounds, considerably broadening material base for polarization. In present work we develop magnetic conditions enabling such effect, dividing 1651 space groups into 7 different prototypes (SST-1 to SST-7). We use 'Inverse Design' approach first formulating target property (here, compounds restricted low structures), then derive physical design principles search realizable that satisfy these priori principles. This process uncovers 422 (160 centrosymmetric 262 non-centrosymmetric) could hold AFM-induced, stable following symmetries. investigate electronic structures some selected prototype density functional theory (DFT) find textures are than traditional Rashba-Dresselhaus patterns. provide DFT results all SST-4) concentrate on revealing AFM-induced (SST-4). The along with their transformation an Inverse Design verification open way experimental examination.M). examination.