Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition

Schelhas, L. T.; Stone, K. H.; Harvey, S. P.; Zakhidov, D.; Salleo, A.; Teeter, G.; Repins, I. L.; Toney, M. F.

doi:10.1002/pssb.201700156

Title: Point defects in Cu₂ZnSnSe₄(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition

Abstract

The interest in Cu ₂ ZnSn(S,Se) ₄ (CZTS) for photovoltaic applications is motivated by similarities to Cu(In,Ga)Se ₂ while being comprised of non‐toxic and earth abundant elements. However, CZTS suffers from a V _oc deficit, where the V _oc is much lower than expected based on the band gap, which may be the result of a high concentration of point‐defects in the CZTS lattice. Recently, reports have observed a low‐temperature order/disorder transition by Raman and optical spectroscopies in CZTS films and is reported to describe the ordering of Cu and Zn atoms in the CZTS crystal structure. To directly determine the level of Cu/Zn ordering, we have used resonant‐XRD, a site, and element specific probe of long range order. We used CZTSe films annealed just below and quenched from just above the transition temperature; based on previous work, the Cu and Zn should be ordered and highly disordered, respectively. Our data show that there is some Cu/Zn ordering near the low temperature transition but significantly less than high chemical order expected from Raman. To understand both our resonant‐XRD results and the Raman results, we present a structural model that involves antiphase domain boundaries and accommodates the excess Zn within themore » CZTS lattice.« less

Authors:

Schelhas, L. T. ^[1]; Stone, K. H. ^[2]; Harvey, S. P. ^[3]; Zakhidov, D. ^[4]; Salleo, A. ^[4]; Teeter, G. ^[3]; Repins, I. L. ^[3]; Toney, M. F. ^[5]

SLAC National Accelerator Lab., Menlo Park, CA (United States). Applied Energy Programs
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Stanford Univ., CA (United States). Materials Science and Engineering Department
SLAC National Accelerator Lab., Menlo Park, CA (United States). Applied Energy Programs and Stanford Synchrotron Radiation Lightsource

Publication Date:: Tue Jul 25 00:00:00 EDT 2017

Research Org.:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

OSTI Identifier:: 1395248

Alternate Identifier(s):: OSTI ID: 1390346

Grant/Contract Number:: AC02-76SF00515; AC36-08-GO28308; ECCS-1542152; DGE-1656518; DE‐AC02‐76SF00515; DE‐AC36‐08‐GO28308

Resource Type:: Accepted Manuscript

Journal Name:: Physica Status Solidi B. Basic Solid State Physics

Additional Journal Information:: Journal Volume: 254; Journal Issue: 9; Journal ID: ISSN 0370-1972

Publisher:: Wiley-Blackwell

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 14 SOLAR ENERGY; Cu2ZnSnSe; order–disorder transitions; point defectes; thin films; X-ray diffraction

Citation Formats


                    Schelhas, L. T., Stone, K. H., Harvey, S. P., Zakhidov, D., Salleo, A., Teeter, G., Repins, I. L., and Toney, M. F. Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition.  United States: N. p., 2017. 
Web.  doi:10.1002/pssb.201700156.

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                    Schelhas, L. T., Stone, K. H., Harvey, S. P., Zakhidov, D., Salleo, A., Teeter, G., Repins, I. L., & Toney, M. F. Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition.  United States.  https://doi.org/10.1002/pssb.201700156

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                    Schelhas, L. T., Stone, K. H., Harvey, S. P., Zakhidov, D., Salleo, A., Teeter, G., Repins, I. L., and Toney, M. F. Tue .  
"Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition".  United States.  https://doi.org/10.1002/pssb.201700156.  https://www.osti.gov/servlets/purl/1395248.

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@article{osti_1395248,

  title        = {Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition},

  author       = {Schelhas, L. T. and Stone, K. H. and Harvey, S. P. and Zakhidov, D. and Salleo, A. and Teeter, G. and Repins, I. L. and Toney, M. F.},

  abstractNote = {The interest in Cu 2 ZnSn(S,Se) 4 (CZTS) for photovoltaic applications is motivated by similarities to Cu(In,Ga)Se 2 while being comprised of non‐toxic and earth abundant elements. However, CZTS suffers from a V oc deficit, where the V oc is much lower than expected based on the band gap, which may be the result of a high concentration of point‐defects in the CZTS lattice. Recently, reports have observed a low‐temperature order/disorder transition by Raman and optical spectroscopies in CZTS films and is reported to describe the ordering of Cu and Zn atoms in the CZTS crystal structure. To directly determine the level of Cu/Zn ordering, we have used resonant‐XRD, a site, and element specific probe of long range order. We used CZTSe films annealed just below and quenched from just above the transition temperature; based on previous work, the Cu and Zn should be ordered and highly disordered, respectively. Our data show that there is some Cu/Zn ordering near the low temperature transition but significantly less than high chemical order expected from Raman. To understand both our resonant‐XRD results and the Raman results, we present a structural model that involves antiphase domain boundaries and accommodates the excess Zn within the CZTS lattice.},

  doi          = {10.1002/pssb.201700156},

  journal      = {Physica Status Solidi B. Basic Solid State Physics},

  number       = 9,

  volume       = 254,

  place        = {United States},

  year         = {Tue Jul 25 00:00:00 EDT 2017},

  month        = {Tue Jul 25 00:00:00 EDT 2017}

}

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Works referencing / citing this record:

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
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Title: Point defects in Cu2ZnSnSe4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition

Abstract

Citation Formats

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