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The electronic and magnetic properties of pristine CrPSe 3  and mixed Cr1  −  x    M  x  PSe 3  (M = Zn, Cd, Hg) monolayers are studied using density functional theory including an on‐site Coulomb term (density functional theory (DFT)    +  U   ) and tight‐binding approach. While pristine CrPSe 3  monolayer has an antiferromagnetic ground state, its alloying with MPSe 3  may give rise to half‐metallic ferromagnet with high Curie temperature. The resulting monolayers demonstrate single‐spin Dirac cones of mainly Cr‐ d  character located in the first Brillouin zone directly at the Fermi energy. The calculated Fermi velocities of Dirac fermions indicate very high mobility in mixed Cr1  −  x    M  x  PSe 3  monolayers, that makes this material appealing for low‐dimensional spintronics applications.

Dirac Fermions in Half‐Metallic Ferromagnetic Mixed Cr 1 − x M x PSe 3 Monolayers