Off-stoichiometric semiconductors Cu1.33+xZn1.33-xIn1.33Se4 (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties

George S. Nolas; Hagen Poddig; Wencong Shi; Lilia M. Woods; Joshua Martin; Hsin Wang

doi:10.1016/j.jssc.2021.122058

Off-stoichiometric semiconductors Cu_1.33+xZn_1.33-xIn_1.33Se₄ (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties

George S. Nolas, Hagen Poddig, Wencong Shi, Lilia M. Woods, Joshua Martin, Hsin Wang

Nuclear Energy Materials Microanalysis

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Abstract

The synthesis, structure, and temperature dependent thermal and electrical properties of off-stoichiometric polycrystalline modified zinc blende quaternary chalcogenides Cu_1.33+xZn_1.33-xIn_1.33Se₄, where x = 0, 0.1, 0.2 and 0.3, are investigated. Temperature-dependent electrical properties reveal these compositions to be semiconductors with alteration of the carrier concentration and electrical transport via stoichiometric variation. The thermal conductivity is low for all specimens and intrinsic to these materials. First principles calculations are also reported in establishing a fundamental investigation that illustrates the large variation in stoichiometry that is possible in these materials. This stoichiometric variation results in the observed variation of the transport properties. The results presented reveal fundamental structure-property relationships in these quaternary chalcogenides, and provides a basis for further research into the viability for large stoichiometric variation in other materials that are of interest for technological applications.

Original language	English
Article number	122058
Journal	Journal of Solid State Chemistry
Volume	297
DOIs	https://doi.org/10.1016/j.jssc.2021.122058
State	Published - May 2021

Funding

This work was supported by National Science Foundation Grant No. DMR-1748188 . H.P. acknowledges support by the ERASMUS + ICM WORLDWIDE exchange program funded by the European Union . We thank N. Alzahrani for sample preparation and Hall measurements, and W.D.C.B. Gunatilleke for XRD data and analyses. H.W. acknowledges support of the International Energy Agency (IEA) Advanced Materials for Transportation and the Department of Energy Lightweight and Propulsion Materials program under the Vehicle Technologies Office. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725. This work was supported by National Science Foundation Grant No. DMR-1748188. H.P. acknowledges support by the ERASMUS ?+ ?ICM WORLDWIDE exchange program funded by the European Union. We thank N. Alzahrani for sample preparation and Hall measurements, and W.D.C.B. Gunatilleke for XRD data and analyses. H.W. acknowledges support of the International Energy Agency (IEA) Advanced Materials for Transportation and the Department of Energy Lightweight and Propulsion Materials program under the Vehicle Technologies Office. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725.

Funders	Funder number
ERASMUS
ERASMUS + ICM
National Science Foundation	1748188, DMR-1748188
Oak Ridge National Laboratory
UT-Battelle	DE-AC05000OR22725
European Commission
International Energy Agency

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10.1016/j.jssc.2021.122058

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title = "Off-stoichiometric semiconductors Cu1.33+xZn1.33-xIn1.33Se4 (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties",

abstract = "The synthesis, structure, and temperature dependent thermal and electrical properties of off-stoichiometric polycrystalline modified zinc blende quaternary chalcogenides Cu1.33+xZn1.33-xIn1.33Se4, where x = 0, 0.1, 0.2 and 0.3, are investigated. Temperature-dependent electrical properties reveal these compositions to be semiconductors with alteration of the carrier concentration and electrical transport via stoichiometric variation. The thermal conductivity is low for all specimens and intrinsic to these materials. First principles calculations are also reported in establishing a fundamental investigation that illustrates the large variation in stoichiometry that is possible in these materials. This stoichiometric variation results in the observed variation of the transport properties. The results presented reveal fundamental structure-property relationships in these quaternary chalcogenides, and provides a basis for further research into the viability for large stoichiometric variation in other materials that are of interest for technological applications.",

author = "Nolas, {George S.} and Hagen Poddig and Wencong Shi and Woods, {Lilia M.} and Joshua Martin and Hsin Wang",

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doi = "10.1016/j.jssc.2021.122058",

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T1 - Off-stoichiometric semiconductors Cu1.33+xZn1.33-xIn1.33Se4 (x = 0, 0.1, 0.2 and 0.3)

T2 - Synthesis, structure, and thermal and electrical properties

AU - Nolas, George S.

AU - Poddig, Hagen

AU - Shi, Wencong

AU - Woods, Lilia M.

AU - Martin, Joshua

AU - Wang, Hsin

PY - 2021/5

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N2 - The synthesis, structure, and temperature dependent thermal and electrical properties of off-stoichiometric polycrystalline modified zinc blende quaternary chalcogenides Cu1.33+xZn1.33-xIn1.33Se4, where x = 0, 0.1, 0.2 and 0.3, are investigated. Temperature-dependent electrical properties reveal these compositions to be semiconductors with alteration of the carrier concentration and electrical transport via stoichiometric variation. The thermal conductivity is low for all specimens and intrinsic to these materials. First principles calculations are also reported in establishing a fundamental investigation that illustrates the large variation in stoichiometry that is possible in these materials. This stoichiometric variation results in the observed variation of the transport properties. The results presented reveal fundamental structure-property relationships in these quaternary chalcogenides, and provides a basis for further research into the viability for large stoichiometric variation in other materials that are of interest for technological applications.

AB - The synthesis, structure, and temperature dependent thermal and electrical properties of off-stoichiometric polycrystalline modified zinc blende quaternary chalcogenides Cu1.33+xZn1.33-xIn1.33Se4, where x = 0, 0.1, 0.2 and 0.3, are investigated. Temperature-dependent electrical properties reveal these compositions to be semiconductors with alteration of the carrier concentration and electrical transport via stoichiometric variation. The thermal conductivity is low for all specimens and intrinsic to these materials. First principles calculations are also reported in establishing a fundamental investigation that illustrates the large variation in stoichiometry that is possible in these materials. This stoichiometric variation results in the observed variation of the transport properties. The results presented reveal fundamental structure-property relationships in these quaternary chalcogenides, and provides a basis for further research into the viability for large stoichiometric variation in other materials that are of interest for technological applications.

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Off-stoichiometric semiconductors Cu_1.33+xZn_1.33-xIn_1.33Se₄ (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties

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