Electronic structure and valence-band spectra ofFeBO3

Based on ab initio electronic-structure calculations by the linear muffin-tin orbital method and the combined analysis of x-ray photoelectron and x-ray B Kα, O Kα, and Fe Lα emission spectra in a common energy scale, the aspects of hybridization within the valence band of ${\mathrm{FeBO}}_3$ are discussed in detail. X-ray photoelectron spectra of ${\mathrm{B}}_2$ ${\mathrm{O}}_3$ and ${\mathrm{H}}_3$ ${\mathrm{BO}}_3$ have also been obtained and are discussed in comparison with that of ${\mathrm{FeBO}}_3$.