Oxygen 2p Partial Density Of States In A Typical Oxide Glass B2o3

The valence-and conduction-band 2p partial densities of states (DOSs) of oxygen in a typical oxide glass, B2O3, were investigated by soft X-ray emission spectroscopy (SXES) and soft X-ray absorption spectroscopy, respectively. An ab initio molecular dynamics (MD) simulation was carried out, and the calculated valence-band DOS is in good agreement with the SXES experimental result. The bond angle dependence of the O 2p partial DOS was also examined by the ab initio MD simulation.