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

Abstract

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.

Authors:

^[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)

Publication Date:: Mon Oct 17 00:00:00 EDT 2016

Research Org.:: 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 Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1353056

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

Report Number(s):: NREL/JA-5K00-67431
Journal ID: ISSN 0003-6951; TRN: US1701378

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

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 109; Journal Issue: 16; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 14 SOLAR ENERGY; 36 MATERIALS SCIENCE; zinc; x-ray diffraction; thin film structure; vacancies; powders

Citation Formats


                    Stone, Kevin H., Christensen, Steven T., Harvey, Steven P., Teeter, Glenn, Repins, Ingrid L., and Toney, Michael F. Quantifying point defects in Cu2ZnSn(S,Se)4 thin films using resonant x-ray diffraction.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4964738.

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                    Stone, Kevin H., Christensen, Steven T., Harvey, Steven P., Teeter, Glenn, Repins, Ingrid L., & Toney, Michael F. Quantifying point defects in Cu2ZnSn(S,Se)4 thin films using resonant x-ray diffraction.  United States.  https://doi.org/10.1063/1.4964738

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                    Stone, Kevin H., Christensen, Steven T., Harvey, Steven P., Teeter, Glenn, Repins, Ingrid L., and Toney, Michael F. Mon .  
"Quantifying point defects in Cu2ZnSn(S,Se)4 thin films using resonant x-ray diffraction".  United States.  https://doi.org/10.1063/1.4964738.  https://www.osti.gov/servlets/purl/1353056.

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@article{osti_1353056,

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

  author       = {Stone, Kevin H. and Christensen, Steven T. and Harvey, Steven P. and Teeter, Glenn and Repins, Ingrid L. and Toney, Michael F.},

  abstractNote = {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.},

  doi          = {10.1063/1.4964738},

  journal      = {Applied Physics Letters},

  number       = 16,

  volume       = 109,

  place        = {United States},

  year         = {Mon Oct 17 00:00:00 EDT 2016},

  month        = {Mon Oct 17 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

Point defects in Cu ₂ ZnSnSe ₄ (CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition : Point defects in Cu
journal, July 2017

Schelhas, L. T.; Stone, K. H.; Harvey, S. P.
physica status solidi (b), Vol. 254, Issue 9
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The effect of stoichiometry on Cu-Zn ordering kinetics in Cu ₂ ZnSnS ₄ thin films
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Rudisch, Katharina; Davydova, Alexandra; Platzer-Björkman, Charlotte
Journal of Applied Physics, Vol. 123, Issue 16
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Zevalkink, Alex; Smiadak, David M.; Blackburn, Jeff L.
Applied Physics Reviews, Vol. 5, Issue 2
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Atomistic consideration of earth-abundant chalcogenide materials for photovoltaics: Kesterite and beyond
journal, October 2018

Kim, Jekyung; Larina, Liudmila; Chung, Sung-Yoon
Journal of Materials Research, Vol. 33, Issue 23
DOI: 10.1557/jmr.2018.350

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

Abstract

Citation Formats

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