Halogen n-type doping of chalcopyrite semiconductors -: art. no. 042109

We theoretically identify the chemical thermodynamic boundary conditions that will produce n-type CuInSe2 via halogen doping. Remarkably, we find that due to the low formation energies of the intrinsic defects, V-Cu and In-Cu in CuInSe2, the growth conditions that maximize the halogen donor incorporation do not yield n-type conductivity, whereas the conditions that maximize the concentration of the intrinsic donor In-Cu do yield n-type conductivity. Under the latter conditions, however, the contribution of the halogen donors to the net donor concentration stays significantly below that of In-Cu. (C) 2005 American Institute of Physics.