The band structures of the silver halides AgF, AgCl, and AgBr: A comparative study

摘要

The band structures of the silver halides AgX, X = F, Cl, and Br, which all form face centred cubic crystals are very similar. Especially the nature of the HOMO/LUMO region is similar. They differ somewhat in the band gap, in the dispersion of some bands and in the splitting between the 4d (Ag) and the np (X) levels and the ionicity which both are most pronounced in AgF. But their photochemical and chemical properties are very different. They are, to a large extent, controlled by surface properties (states) and by the secondary processes of the halides.