A Symmetry-Breaking Phase in Two-Dimensional FeTe₂ with Ferromagnetism above Room Temperature

Abstract

Recently, ferromagnetism observed in monolayer two-dimensional (2D) materials has attracted attention due to the promise of its application in next-generation spintronics. Here, we predict a symmetry-breaking phase in 2D FeTe₂ that differs from conventional transition metal ditellurides shows superior stability and room-temperature ferromagnetism. Through density functional theory calculations, we find the exchange interactions in FeTe₂ consist of short-range superexchange and long-range oscillatory exchanges mediated by itinerant electrons. For six nearest neighbors, the exchange constants are calculated to be 50.95, 33.41, 2.70, 11.02, 14.46, and -4.12 meV. Furthermore, the strong relativistic effects on Te²⁺ induce giant out-of-plane exchange anisotropy and open up a significantly large spin wave gap (Δ^SW) of 1.22 meV. All of this leads to robust ferromagnetism with the <i>T</i>_c surpassing 423 K, which is predicted by the renormalization group Monte Carlo method, sufficiently higher than room temperature. Our findings shed light on the promising future of FeTe₂ in 2D magnetic research and spintronic applications.