Combined photoemission and inverse photoemission study of HfS2 - art. no. 035107

We report on a comprehensive study of the electronic structure of the layer ed semiconductor 1T-HfS2. The occupied and unoccupied band structure has be en investigated by combined angle-resolved photoemission and inverse photoe mission. The results are discussed in the context of a fully relativistic l inear-muffin-tin-orbital calculation as well as an extended linear-augmente d-plane-wave calculation showing a very good agreement between experiment a nd theory. From the measurements, we obtain an indirect band gap of 2.85 eV between Gamma and Mn. This value differs significantly from optical result s (approximate to2 eV). In the normal direction we observe the direct band gap of 3.6 eV.