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

Stone, Kevin H.; Christensen, Steven T.; Harvey, Steven P.; Teeter, Glenn; Repins, Ingrid L.; Toney, Michael F.

doi:10.1063/1.4964738

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

Journal Article · Mon Oct 17 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4964738· OSTI ID:1353056

^[1]; Christensen, Steven T. ^[2]; Harvey, Steven P. ^[2];

^[2]; Repins, Ingrid L. ^[2]; Toney, Michael F. ^[1]

SLAC National Accelerator Lab., Menlo Park, CA (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)

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.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Inverse Design (CID); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; AC36−08GO28308; AC36-08GO28308

OSTI ID:: 1353056

Alternate ID(s):: OSTI ID: 1332482; OSTI ID: 1420534

Report Number(s):: NREL/JA-5K00-67431; TRN: US1701378

Journal Information:: Applied Physics Letters, Vol. 109, Issue 16; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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Cited By (4)

Point defects in Cu ₂ ZnSnSe ₄ (CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition : Point defects in Cu Schelhas, L. T.; Stone, K. H.; Harvey, S. P. physica status solidi (b), Vol. 254, Issue 9 https://doi.org/10.1002/pssb.201700156	journal	July 2017
The effect of stoichiometry on Cu-Zn ordering kinetics in Cu ₂ ZnSnS ₄ thin films Rudisch, Katharina; Davydova, Alexandra; Platzer-Björkman, Charlotte Journal of Applied Physics, Vol. 123, Issue 16 https://doi.org/10.1063/1.5010081	journal	April 2018
A practical field guide to thermoelectrics: Fundamentals, synthesis, and characterization Zevalkink, Alex; Smiadak, David M.; Blackburn, Jeff L. Applied Physics Reviews, Vol. 5, Issue 2 https://doi.org/10.1063/1.5021094	journal	June 2018
Atomistic consideration of earth-abundant chalcogenide materials for photovoltaics: Kesterite and beyond Kim, Jekyung; Larina, Liudmila; Chung, Sung-Yoon Journal of Materials Research, Vol. 33, Issue 23 https://doi.org/10.1557/jmr.2018.350	journal	October 2018

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

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