Dirac fermions in half-metallic ferromagnetic mixed Cr${}_{1\text{-}x}$M${}_x$PSe${}_3$ monolayers

Abstract

The electronic and magnetic properties of pristine CrPSe${}_3$ and mixed Cr${}_{1\text{-}x}$M${}_x$PSe${}_3$ (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 CrPSe${}_3$ monolayer has an antiferromagnetic (AFM) ground state, its alloying with MPSe${}_3$ 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 Cr${}_{1\text{-}x}$M${}_x$PSe${}_3$ monolayers, that makes this material appealing for low-dimensional spintronics applications.

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Cited by in corpus (6)

• Limited ferromagnetic interactions in monolayers of MPS${}_3$ (M=Mn, Ni)
• Correlations in the Electronic Structure of van der Waals NiPS${}_3$ Crystals: An X-Ray Absorption and Resonant Photoelectron Spectroscopy Study
• Adsorption of water molecules on pristine and defective NiPX${}_3$ (X: S, Se) monolayers
• Realization of the electric-field driven "one-material"-based magnetic tunnel junction using van der Waals antiferromagnetic MnPX3 (X: S, Se)
• Adsorption of water on the pristine and defective semiconducting 2D CrPX${}_3$ monolayers (X: S, Se)
• Field-induced spin polarization in lightly Cr-substituted layered antiferromagnet NiPS3