Fig. 3: Band structure and Fermi surface of (π, π, π) AFM phase.
From: Electronic and magnetic structure of infinite-layer NdNiO2: trace of antiferromagnetic metal
a Band structures of (π, π, π) AFM phase with different values of Hubbard U. b–e Perspective view of the Fermi surfaces of (π, π, π) AFM with U = 0, 2, 4, and 6 eV. The two hole pockets in b–d are degenerated and can not be distinguished from this picture. The high symmetry k-points in e are labeled to guide the eye. f Schematic diagram of major self-doping channel at U = 0 and U = 6 eV. The red/blue color represents d orbital of Nd/Ni respectively.
