Strain-induced frustrated helimagnetism and topological spin textures in LiCrTe2

By performing first-principles calculations in conjunction with Monte Carlo simulations, we systematically investigated the frustrated magnetic states induced by in-plane compressive strain in LiCrTe2. Our calculations support the idea that the magnetic ground state of the LiCrTe2 crystal is A-type antiferromagnetic (AFM) with an in-plane ferromagnetic (FM) state and interlayer AFM coupling. Furthermore, we find that compressive strain can significantly alter the magnetic interactions, giving rise to a transition from an in-plane FM state to an AFM state, undergoing a helimagnetic phase. Remarkably, a highly frustrated helimagnetic state with disordered spin spirals under moderate strain arises from the competition between spiral propagation modes along distinct directions. In addition, various topological spin defects emerge in this frustrated helimagnetic phase which are assembled from various domain wall units. These topological defects can be further tuned with external magnetic fields. Our calculations not only uncover the origin of exotic frustrated magnetism in triangular lattice magnetic systems but also offer a promising route to engineer the frustrated and topological magnetic state, which is significant for both fundamental research and technological applications. © 2023 American Physical Society.