Controllable Magnetic Anisotropy in Two-Dimensional 1T-CrTe2 with Electrides Sublayer

Abstract

Exploring the controlled magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnets is an essential step towards the emergent magnetic tunnel junctions (MTJs) with robust storage stability and low-power consumption. In addition to the transitional charge doping method, we propose that stacking 2D ferromagnet 1T-CrTe₂ with electrides substrate can achieve not only the high interfacial charge transfer up to 5.24×10¹⁴ cm^-2 and but also efficient modification of magnetic behaviors via interfacial engineering. Employing first-principles calculations, we show that the 1T-CrTe₂/Ca₂N(Y₂C) heterostructures exhibit a significant reduction in MAE with a spin reorientation. Notably, the synergistic effect of internal charge transfer, external strain and charge doping shows a significant influence on the magnetic behaviors of the bilayer structures, enabling an efficient modulating of their MAE with distinct dependences. We elucidate that the underlying mechanism is the synergistic effect induced alteration of the spin-polarized p_x and p_y states on the Te atom located at the interfaces, which in turn changes the competitive spin-orbit coupling (SOC) contributions to the MAE. These findings provide a practical path toward the controllable MAE in 2D ferromagnets, and make the proposed heterostructures promising candidates for emergent spintronic devices.