Halogen n-type doping of chalcopyrite semiconductors

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Abstract
We theoretically identify the chemical thermodynamic boundary conditions that will produce n -type Cu In Se 2 via halogen doping. Remarkably, we find that due to the low formation energies of the intrinsic defects, V Cu and In Cu in Cu In Se 2 , 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 .