The experimental and theoretical search for cheap and abundant high
performance semiconductors leads to increasingly complex
multi-component materials. For materials with applications in
photovoltaics,the optical properties are most important, but they mean
little without control of the electronic properties. I will give an
introduction to first-principles computations of intrinsic point
defects and extrinsic dopants and the resulting charge carrier
concentrations using the work of my research group on novel inorganic
semiconductors, such as Bariumcopperfluoridechalcogenides (BaCuChF
Ch={S,Se,Te}) and Copperphosphorselenide (CuP_3Ch_4) as examples. The
target audience are students and researchers in physics, chemistry,
and materials science who try to use the results of theoretical
predictions in their work.
