Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4

Ojo, Oluwagbemiga P.; Gunatilleke, Wilarachchige B.; Poddig, Hagen; Wang, Hsin; Martin, Joshua; Kirsch, Dylan J.; Nolas, George S.

doi:10.1039/d1dt03218f

Title: Synthesis, structure, electronic and thermal properties of sphalerite CuZn₂InS₄

Abstract

Quaternary chalcogenides continue to be of interest due to the variety of physical properties they possess, as well as their potential for different applications of interest. Investigations on materials with the sphalerite crystal structure have only recently begun. In this study we have synthesized sulfur-based sphalerite quaternary chalcogenides, including off-stoichiometric compositions, and investigated the temperature-dependent electronic, thermal and structural properties of these materials. Insulating to semiconducting transport is observed with stoichiometric variation, and analyses of heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. Finally, we include similar analyses for CuZn₂InSe₄ and compare these sphalerite quaternary chalcogenides to that of zinc blende binaries in order to fully understand the origin of the low thermal conductivity these quaternary chalcogenides possess.

Authors:

^[1]; Gunatilleke, Wilarachchige B. ^[1]; Poddig, Hagen ^[2];

^[3]; Martin, Joshua ^[4]; Kirsch, Dylan J. ^[5];

^[1]

Univ. of South Florida, Tampa, FL (United States)
Technische Universität Dresden (Germany)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Material Measurement Lab.
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Material Measurement Lab; Univ. of Maryland, College Park, MD (United States)

Publication Date:: Wed Nov 10 00:00:00 EST 2021

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); National Science Foundation (NSF)

OSTI Identifier:: 1842582

Grant/Contract Number:: AC05-00OR22725; DMR-1748188

Resource Type:: Accepted Manuscript

Journal Name:: Dalton Transactions

Additional Journal Information:: Journal Volume: 50; Journal Issue: 47; Journal ID: ISSN 1477-9226

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Quaternary chalcogenides; sphalerite; transport properties; heat capacity; thermal expansion

Citation Formats


                    Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Poddig, Hagen, Wang, Hsin, Martin, Joshua, Kirsch, Dylan J., and Nolas, George S. Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4.  United States: N. p., 2021. 
Web.  doi:10.1039/d1dt03218f.

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                    Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Poddig, Hagen, Wang, Hsin, Martin, Joshua, Kirsch, Dylan J., & Nolas, George S. Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4.  United States.  https://doi.org/10.1039/d1dt03218f

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                    Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Poddig, Hagen, Wang, Hsin, Martin, Joshua, Kirsch, Dylan J., and Nolas, George S. Wed .  
"Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4".  United States.  https://doi.org/10.1039/d1dt03218f.  https://www.osti.gov/servlets/purl/1842582.

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@article{osti_1842582,

  title        = {Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4},

  author       = {Ojo, Oluwagbemiga P. and Gunatilleke, Wilarachchige B. and Poddig, Hagen and Wang, Hsin and Martin, Joshua and Kirsch, Dylan J. and Nolas, George S.},

  abstractNote = {Quaternary chalcogenides continue to be of interest due to the variety of physical properties they possess, as well as their potential for different applications of interest. Investigations on materials with the sphalerite crystal structure have only recently begun. In this study we have synthesized sulfur-based sphalerite quaternary chalcogenides, including off-stoichiometric compositions, and investigated the temperature-dependent electronic, thermal and structural properties of these materials. Insulating to semiconducting transport is observed with stoichiometric variation, and analyses of heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. Finally, we include similar analyses for CuZn2InSe4 and compare these sphalerite quaternary chalcogenides to that of zinc blende binaries in order to fully understand the origin of the low thermal conductivity these quaternary chalcogenides possess.},

  doi          = {10.1039/d1dt03218f},

  journal      = {Dalton Transactions},

  number       = 47,

  volume       = 50,

  place        = {United States},

  year         = {Wed Nov 10 00:00:00 EST 2021},

  month        = {Wed Nov 10 00:00:00 EST 2021}

}

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Title: Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4

Abstract

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Pressure effect on mechanical stability and optoelectronic behavior of Zinc-Silicon Diarsenide ZnSiAs2-Chalcopyrite: DFT investigation
journal, June 2017

Impact of various dopant elements on the properties of kesterite compounds for solar cell applications: a status review
journal, January 2019

Thermoelectric Materials: A New Rapid Synthesis Process for Nontoxic and High-Performance Tetrahedrite Compounds
journal, October 2015

The Thermal Conductivity of Nonmetallic Crystals
book, January 1979

Band structure engineering of multinary chalcogenide topological insulators
journal, June 2011

Synthesis and thermoelectric properties of Cu excess Cu ₂ ZnSnSe ₄ : Synthesis and thermoelectric properties of Cu excess Cu
journal, November 2013