Halogen n-type Doping of Chalcopyrite Semiconductors

Stephan Lany, Yu Jun Zhao, Clas Persson, Alex Zunger

Research output: Contribution to journalArticlepeer-review

36 Scopus Citations


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

Original languageAmerican English
Article number042109
Pages (from-to)042109-1-042109-3
Number of pages4
JournalApplied Physics Letters
Issue number4
StatePublished - 2005

NREL Publication Number

  • NREL/JA-590-37859


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