Fig. 2: Electronic and magnetic properties. | npj Computational Materials

Fig. 2: Electronic and magnetic properties.

From: Ferroelectricity coexisted with p-orbital ferromagnetism and metallicity in two-dimensional metal oxynitrides

Fig. 2

a The spin-polarized band structure (left) and the element-resolved PDOS (right) at PBE level for FE−WZ′ X2NO2 monolayer near the Fermi level, which is set to zero. Γ (0, 0, 0), M (1/2, 0, 0), and K (1/3, 1/3, 0) are the highly symmetric points in reciprocal space. b Top and side views of the spin charge density for sAFM and FM FE−WZ′ X2NO2 monolayers. The isovalue is 0.1 electron per Å3. Spin-up and spin-down electrons are colored as cyan and orange, respectively. c Angle-dependent magnetic anisotropic energy with the magnetic moments lying on xy, xz, and yz planes. The energies for the case of the spin along the easy magnetization planes (xy/xz) are set to zero. The angles between the spin vector and the x, y, and z axes are shown in the inset. d The temperature dependence of the magnetic moment M (in red) and specific heat (in violet) of the FE−WZ′ Tl2NO2 monolayer.

Back to article page