A combined first principle calculations and experimental study on the spin-polarized band structure of Co-doped PbPdO_2

摘要

With x-ray spectroscopy and first-principles calculations, we expose the electronic structure, near the Fermi level, of Co-doped PbPdO_2 composed of O 2p-Pd Ad hybridized states with an additional contribution of a spin-polarized Co 3d state at either a greater or smaller energy. The spin-polarized Co 3d states interacting with O 2p-Pd Ad hybridized states cause spin splitting at the band edge. Fascinating physical properties such as high-temperature ferromagnetism thus arise in Co-doped PbPdO_2. Results will help in the design of materials with desired electronic structures and the control of spin polarization with chemical doping.