Fig. 2: Theoretical computations of crystal structure, electronic structural and magnetic properties for NaCl2 crystal.
From: Two-dimensional anion-rich NaCl2 crystal under ambient conditions
a Electron localization function for NaCl2 with an isosurface of 0.4 (upper) and a 2D projection on the chloride plane. Purple spheres represents the electron density of chloride ions. b Schematic diagram of the ferromagnetic ground state of NaCl2, where the red arrows present the spin alignment. c Spin charge density of NaCl2 crystal with an isosurface of 0.03 e for both spin directions. Red and blue spheres represent spin density for spin up channels and spin down channels, repectively. d Spin-polarized band and density of states (DOSs) of NaCl2.
