Fig. 3: Identification of paramagnetic and antiferromagnetic layers using DFT + U calculations.
From: Unconventional band splitting of CeSb in the devil’s staircase transition
a Ce 4 f 0 energy level determined from resonant ARPES measurements using 122 eV photons, located around 2.8 eV below the Fermi level. b Values of the Hubbard U and Hund’s coupling J parameters for the DFT + U calculations of the antiferromagnetic ground phase. c ARPES spectra of the c-domain at 8.2 K. d Calculated band structure for the type-IA AFM phase. e Calculated band structure for the ferromagnetic phase. f Superimposed DFT calculations of the type-IA AFM and PM phases. The color scale represents the intensity of ARPES spectra. g-i ARPES spectra overlapped with DFT calculations in (d-f), respectively.
