Stable Ferromagnetism and High Curie Temperature in VGe${}_2$N${}_4$

Abstract

The discovery of monolayer MA${}_2$Z${}_4$ (M = transition metals; A = IVA elements; Z = VA elements, Science 369, 2020, 670-674) family has led another advance for facilitating and harnessing magnetism in low-dimensional materials. However, only Cr and V based MA${}_2$N${}_4$ compounds exhibit intrinsic magnetism yet with unsatisfied magnetic ordering temperature. Herein, we identify a stable ferromagnetic number of this family, i.e., VGe${}_2$Z${}_4$ monolayer, by means of first-principles calculations. It is found that the magnetic configuration sustains under both compression and tensile uniaxial in-plane strain, and the former can act as a positive modulator to enhance magnetic ordering temperature (Tc). Electronic structure calculations reveal a large band gap in the spin down channel while band-gapless in the spin up channel, an impressive near-half-metallic character, which is a favorable candidate for spintronic device.

11 pages, 5 figures,Supporting Material

References in corpus (6)

• Two Dimensional Atomic Crystals
• Universal dynamical conductance in graphite
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Predicted septuple-atomic-layer Janus $\mathrm{MSiGe}{\mathrm{N}}_4$ (M=Mo and W) monolayers with Rashba spin splitting and high electron carrier mobilities
• Semiconductor-to-metal transition in bilayer MoSi${}_2$N${}_4$ and WSi${}_2$N${}_4$ with strain and electric field
• Effect of O-doping or N-vacancy on the structural, electronic and magnetic properties of MoSi2N4 monolayer

Cited by in corpus (2)

• General Theory for Bilayer Stacking Ferroelectricity
• MoSi${}_2$N${}_4$-like crystals -- the new family of two-dimensional materials