The electronic and magnetic properties of pristine CrPSe3 and mixed Cr1-xMxPSe3 (M = Zn, Cd, Hg) monolayers were studied using density functional theory including an on-site Coulomb term (DFT+U) and tight-binding approach (TBA). While pristine CrPSe3 monolayer has an antiferromagnetic (AFM) ground state, its alloying with MPSe3 may give rise to half-metallic ferromagnet (HMF) 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-xMxPSe3 monolayers, that makes this material appealing for low-dimensional spintronics applications.
@article{arxiv.2112.11840,
title = {Dirac fermions in half-metallic ferromagnetic mixed Cr$_{1\textrm{-}x}$M$_x$PSe$_3$ monolayers},
author = {Juntao Yang and Yong Zhou and Yuriy Dedkov and Elena Voloshina},
journal= {arXiv preprint arXiv:2112.11840},
year = {2021}
}