The effects of hydrogen on the electronic properties of silicon

Silicon (Si) with dangling bonds that are fully passivated by hydrogen (H) is investigated using the well-known non-self-consistent perturbative pseudopotential method (PPM) of M. Jaros. The role of H atoms is studied from a different point of view compared with previous works: (i) the modifications due to these atoms are calculated according to the Si bulk states, (ii) the gap variations with the Si-H bond length, and (iii) the gap variations with the Si/H band line-ups are investigated. This work is an attempt to shed light qualitatively on the role of hydrogen in the electronic properties of porous silicon (PSi).