The in-plane Dzyaloshinsky-Moriya interaction in monolayer 2H-FeTe2

Based on density functional theory calculations, we study the electronic structure and magnetism of monolayer 2H-FeTe2. The dispersion relation between energy and wave vector q of the in-plane spin spiral at opposite direction E(q) and E(-q) is obtained with the generalized Bloch theorem. Additionally, the Heisenberg interaction (HBI) and Dzyaloshinsky-Moriya interaction (DMI) parameters ( Ji and di) under multiple neighbors are extracted from the energy values by applying HBI with DMI model. We find that collinear ferromagnetic and antiferromagnetic states coexist in monolayer 2H-FeTe2. Moreover, the positive value of J3 plays a key role in the generation of ferromagnetism. The DMI parameters d1 = -4.59 meV and d5 = 1.51 meV indicate that the appearance of intrinsic in-plane DMI is due to the broken inversion symmetry within the monolayer. Our work will facilitate understanding the generation of chiral spin textures in 2D magnets and the design of orbital spintronic electronic devices.& COPY; 2023 Elsevier B.V. All rights reserved.