Valence band electronic structure of Nd1−x Y x MnO3 using X-ray absorption, photoemission and GGA+U calculations.

Highlights: [•] Decrease in the occupancy of Mn 3d orbitals with doping. [•] Greater splitting of the e g orbitals due to the increased Jahn–Teller distortion with doping. [•] Decrease in O 2p–Mn 3d charge transfer character with doping. [•] Increase in charge transfer energy and band gap with doping. [•] Calculations hint a subtle change from a charge transfer to Mott–Hubbard type insulator with doping. [ABSTRACT FROM AUTHOR]