Supplementary materials

In supplementary materials, ab-initio molecular dynamic (AIMD) simulation under 300K with 10 ps timescale, magnetic configurations, orbital-resolved projected band structures (PBANDs) and projected density of states (PDOS), atomic-resolved PDOS, atomic-resolved and orbital-resolved MAEs, I-V curves and transmission spectra under 0 bias and peak-valley current bias of Fe3Se4 and Fe3S4 device, detailed crystal parameters and energy difference between FM and AFM states under different effective Hubbard U for Fe3X4 nanowires are included.