Fig. 1: Theoretical electronic structure of CaCeMnO3 (CCMO) upon doping.
From: Electron-polaron dichotomy of charge carriers in perovskite oxides
a Density functional theory -relaxed orthorhombically distorted lattice of CaMnO3 (CMO). b The Brillouin zone (BZ) of the distorted lattice inscribed into that of the undistorted cubic pseudo-cell. c Electronic density of states of CMO projected onto two Mn atoms with antiparallel spins. d Bandstructure and rigid shift of the Fermi energy EF corresponding to 2% (red) and 4% doping (blue). e Theoretical Fermi surface (FS) unfolded to the cubic pseudo-cell BZ. f Calculated FS cuts in the ΓMX plane for the 2% Ce-doped, CCMO2 (green lines) and 4% Ce-doped, CCMO4 (blue), where the doping increases the Luttinger volume.
