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Title: Quantifying point defects in Cu2ZnSn(S,Se)4 thin films using resonant x-ray diffraction

Cu 2ZnSn(S,Se)4 is an interesting, earth abundant photovoltaic material, but has suffered from low open circuit voltage. To better understand the film structure, we have measured resonant x-ray diffraction across the Cu and Zn K-edges for the device quality thin films of Cu 2ZnSnS4 (8.6% efficiency) and Cu 2ZnSn(S,Se)4 (3.5% efficiency). This approach allows for the confirmation of the underlying kesterite structure and quantification of the concentration of point defects and vacancies on the Cu, Zn, and Sn sublattices. Rietveld refinement of powder diffraction data collected at multiple energies is used to determine that there exists a high level of Cu Zn and Zn Cu defects on the 2c and 2d Wyckoff positions. We observe a significantly lower concentration of Zn Sn defects and Cu or Zn vacancies.
ORCiD logo [1] ;  [2] ;  [2] ; ORCiD logo [2] ;  [2] ;  [1]
  1. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  2. National Renewable Energy Laboratory, Golden, Colorado 80401, USA
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0003-6951
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 109; Journal Issue: 16
American Institute of Physics (AIP)
Research Org:
NREL (National Renewable Energy Laboratory (NREL), Golden, CO (United States))
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
14 SOLAR ENERGY; 36 MATERIALS SCIENCE zinc; x-ray diffraction; thin film structure; vacancies; powders