Spin-1 Dirac half-metal, spin-gapless semiconductor, and spin-polarized massive Dirac dispersion in transition metal dihalide monolayers

Abstract: Spin-1 condensed matter systems characterized by the combination of a Dirac-like dispersion and flat bands are ideal for realizing high-temperature electronics and spintronic technologies in the absence of external magnetic field. In this study, we propose a three-band tight binding model, with spin-polarized Haldane-like next-nearest-neighbour tunnelling, on dice lattice and show that spin-1 Dirac half-metal, spin-1 Dirac spin-gapless semiconductor, and spin-polarized spin-1 massive Dirac dispersion with nontrivial topology can exist in two-dimensional ferromagnetic condensed matter systems with electron spin polarization P = 1. The proposed spin-polarized spin-1 phases can be realized in ferromagnetic transition metal dihalides MX2 monolayers effectively. By using first principle calculations, we show that a small compressive strain leads MX2 monolayers to be spin-one Dirac half-metal for M = Fe and X = Br, Cl while spin-one Dirac spin-gapless semiconductor for M = Co and X = Br, Cl. Spin-one Dirac spin-gapless semiconductors CoBr2 and CoCl2 embeds flat band ferromagnetism where spin-orbit coupling opens a topologically non-trivial Dirac gap between dispersing valance and conduction band while leaving flat band unaffected. The intrinsic flat-band ferromagnetism in spin-polarized spin-1 massive Dirac dispersion plays key role in materializing quantum anomalous Hall state with Chern number C = -2.