Fig. 6: Electronic structures and crystalline magneto-anisotropy of bulk and single-layer (1 L) CrPd5I2.

a, b Up (minority) and down (majority) density of state (DOS) for bulk and 1 L CrPd5I2 without spin-orbit coupling (SOC). c, d k-point resolved magneto-anisotropy energy (MAE) isosurface at ±0.03 meV/f.u. for bulk CrPd5I2 with switching the magnetic axis from [001] to [100] with SOC. e, f Band structure with SOC for bulk and 1 L CrPd5I2 with the highest valence band (N) shown in red. g, h Weyl nodal lines of bulk and 1 L CrPd5I2 between band N and N + 1.