Origin of the Anomalous Electrical Transport Behavior in Fe-Intercalated Weyl Semimetal T_d -MoTe₂

Weyl semimetal T_d -MoTe₂ has recently attracted much attention due to its intriguing electronic properties and potential applications in spintronics. Here, Fe-intercalated T_d -Fe_x MoTe₂ single crystals (0 < x < 0.15 ) are grown successfully. The electrical and thermoelectric transport results consistently demonstrate that the phase transition temperature T_S is gradually suppressed with increasing x. Theoretical calculation suggests that the increased energy of the T_d phase, enhanced transition barrier, and more occupied bands in 1T' phase is responsible for the suppression in T_S . In addition, a ρ^α -lnT behavior induced by Kondo effect is observed with x ≥ 0.08, due to the coupling between conduction carriers and the local magnetic moments of intercalated Fe atoms. For T_d -Fe_0.15 MoTe₂ , a spin-glass transition occurs at ≈10 K. The calculated band structure of T_d -Fe_0.25 MoTe₂ shows that two flat bands exist near the Fermi level, which are mainly contributed by the d_yz and $$ orbitals of the Fe atoms. Finally, the electronic phase diagram of T_d -Fe_x MoTe₂ is established for the first time. This work provides a new route to control the structural instability and explore exotic electronic states for transition-metal dichalcogenides.