Halogen n-type doping of chalcopyrite semiconductors

• 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.

Nyckelord

solar-cells

total-energy

thin-films

efficiency

cuinse2

culnse2

Publikations- och innehållstyp

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