Author/Authors :
Kundu، نويسنده , , R. and Mishra، نويسنده , , G. P. Raja Sekhar، نويسنده , , B.R. and Chaigneau، نويسنده , , J. and Haumont، نويسنده , , R. and Suryanarayanan، نويسنده , , R. and Kiat، نويسنده , , J.M.، نويسنده ,
Abstract :
The valence band electronic structure of the Bi1−xPbxFeO3 (x=0.02–0.15) system which undergoes a R3c to cubic phase transition with Pb doping has been studied by using X-ray and ultra-violet photoelectron spectroscopy. The cubic composition showed an enhancement of the oxygen 2p character in the near Fermi level density of states, possibly due to the weakening of the Fe 3d–O 2p–Bi 6p hybridization strengths following the changes in the topology of the oxygen octahedra in its structure. The compositions with the R3c structure showed a much larger band gap and band width compared to those reported from LSDA+U calculations. We attribute this to a larger effective Coulomb interaction (Ueff).
