Electronic structure of BiI₃

The band structure of BiI 3 is calculated using the empirical pseudopotential method (EPM). Measurements of the reflectivity and wavelength modulated reflectivity spectra at liquid helium temperatures are presented. For energies below 4.5 eV, fair agreement is obtained between the experimental and theoretical reflectivity spectra. The valence band density is compared to recent X‐ray photoemission (XPS) data. Charge density distributions of distinct groups of valence bands are calculated and combined with the density of states spectrum. These are used to explain the nature of the chemical bonding in BiI 3 .