Electronic structures and doping of SnO2, CuAlO2, and CuInO2

Abstract

The electronic structure and density of states of SnO2, CuAlO2, and CuInO2 have been calculated using the plane wave pseudopotential method, in order to study the limits to doping in n, p, and bipolar semiconductor systems. For each material, we have calculated the charge neutrality level and we have related it to the system’s electronic structure. We have found that the charge neutrality level energy increases in the band gap, going from p-type to n-type materials, giving an insight into the type of doping achievable in these oxides.