Polaronic transport and thermoelectricity in Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2)

doi:10.1103/PhysRevB.97.155202

This content will become publicly available on April 9, 2019

Title: Polaronic transport and thermoelectricity in ${Fe}_{1 - x} {Co}_{x} {Sb}_{2} S_{4}$ ( $x = 0$ , 0.1, and 0.2)

Here, we report a study of Co-doped berthierite Fe _1–xCo _xSb ₂S ₄ (x=0, 0.1, and 0.2). The alloy series of Fe _1–xCo _xSb ₂S ₄ crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb ₂, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, E _ρ (146 ~270meV), and thermopower, E _S (47 ~108 meV), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb ₂S ₄ (x=0) exhibit a broad antiferromagnetic transition (T _N = 46K) followed by an additional weak transition (T* = 50K). Transition temperatures (T _N and T*) slightly decrease with increasing Co content x. This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe _1–xCo _xSb ₂S ₄ shows relatively high value of thermopower (up to ~624μVK ^–1 at 300 K) and thermal conductivity much lower when compared to FeSb ₂, a feature desired for potential applications based on FeSb ₂ materials.

Authors:

Liu, Yu ^[1] ; Kang, Chang -Jong ^[2] ; Stavitski, Eli ^[1] ; Du, Qianheng ^[3] ; Attenkofer, Klaus ^[1] ; Kotliar, Gabriel ^[4] ; Petrovic, C. ^[3]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Rutgers Univ., Piscataway, NJ (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Rutgers Univ., Piscataway, NJ (United States)

Publication Date:: 2018-04-09

Report Number(s):: BNL-205729-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO

Grant/Contract Number:: SC0012704

Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 97; Journal Issue: 15; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Research Org:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Org:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

OSTI Identifier:: 1440351

Alternate Identifier(s):: OSTI ID: 1432406


                    Liu, Yu, Kang, Chang -Jong, Stavitski, Eli, Du, Qianheng, Attenkofer, Klaus, Kotliar, Gabriel, and Petrovic, C. Polaronic transport and thermoelectricity in Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2).  United States: N. p.,  
        Web.  doi:10.1103/PhysRevB.97.155202.

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                    Liu, Yu, Kang, Chang -Jong, Stavitski, Eli, Du, Qianheng, Attenkofer, Klaus, Kotliar, Gabriel, & Petrovic, C. Polaronic transport and thermoelectricity in Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2).  United States.  doi:10.1103/PhysRevB.97.155202.

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                    Liu, Yu, Kang, Chang -Jong, Stavitski, Eli, Du, Qianheng, Attenkofer, Klaus, Kotliar, Gabriel, and Petrovic, C. 2018.  
        "Polaronic transport and thermoelectricity in Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2)".  United States.  
        doi:10.1103/PhysRevB.97.155202.

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@article{osti_1440351,

  title        = {Polaronic transport and thermoelectricity in Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2)},

  author       = {Liu, Yu and Kang, Chang -Jong and Stavitski, Eli and Du, Qianheng and Attenkofer, Klaus and Kotliar, Gabriel and Petrovic, C.},

  abstractNote = {Here, we report a study of Co-doped berthierite Fe1–xCoxSb2S4 (x=0, 0.1, and 0.2). The alloy series of Fe1–xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ~270meV), and thermopower, ES (47 ~108 meV), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x=0) exhibit a broad antiferromagnetic transition (TN = 46K) followed by an additional weak transition (T* = 50K). Transition temperatures (TN and T*) slightly decrease with increasing Co content x. This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1–xCoxSb2S4 shows relatively high value of thermopower (up to ~624μVK–1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.},

  doi          = {10.1103/PhysRevB.97.155202},

  journal      = {Physical Review B},

  number       = 15,

  volume       = 97,

  place        = {United States},

  year         = {2018},

  month        = {4}

}

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Free Publicly Accessible Full Text
This content will become publicly available on April 9, 2019
Publisher's Version of Record
10.1103/PhysRevB.97.155202
https://doi.org/10.1103/PhysRevB.97.155202

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

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Title: Polaronic transport and thermoelectricity in Fe 1 – x Co x Sb 2 S 4 ( x = 0 , 0.1, and 0.2)

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resulting from DOE research funding

Title: Polaronic transport and thermoelectricity in ${Fe}_{1 - x} {Co}_{x} {Sb}_{2} S_{4}$ ( $x = 0$ , 0.1, and 0.2)