The CuInSe2-Culn3Se5 defect compound interface: Electronic structure and band alignment

The interface formation between stoichiometric chalcopyrite CuInSe2 and the copper-deficient defect phase CuIn3Se5 is investigated by in situ photoelectron spectroscopy. The use of epitaxial samples allows for the preparation of highly defined surfaces and accurate analysis of the electronic structure. Valence band structures measured with synchrotron-based photoelectron spectroscopy are in agreement with density functional theory. We observe a lowering of the top valence band of CuIn3Se5 of 0.29 eV with respect to CuInSe2. The increased optical gap for copper-deficient material leads to aligned conduction bands. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739790]