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

Liu, Yu; Kang, Chang -Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, Gabriel; Petrovic, C.

doi:10.1103/PhysRevB.97.155202

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

Journal Article · Mon Apr 09 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.97.155202· OSTI ID:1440351

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)

Here, we report a study of Co-doped berthierite Fe_1–xCo_xSb₂S₄ (x=0, 0.1, and 0.2). The alloy series of Fe_1–xCo_xSb₂S₄ 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, E_ρ (146 ~270meV), and thermopower, E_S (47 ~108 meV), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb₂S₄ (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_xSb₂S₄ 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.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704

OSTI ID:: 1440351

Alternate ID(s):: OSTI ID: 1432406

Report Number(s):: BNL-205729-2018-JAAM; PRBMDO; TRN: US1900721

Journal Information:: Physical Review B, Vol. 97, Issue 15; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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References (39)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Polarons in crystalline and non-crystalline materials Austin, I. G.; Mott, N. F. Advances in Physics, Vol. 50, Issue 7 https://doi.org/10.1080/00018730110103249	journal	November 2001
Electronic thermoelectric power factor and metal-insulator transition in FeSb $_{2}$ Jie, Qing; Hu, Rongwei; Bozin, Emil Physical Review B, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevB.86.115121	journal	September 2012
Crystal Structure, Charge Transport, and Magnetic Properties of MnSb2Se4 Djieutedjeu, Honore; Makongo, Julien P. A.; Rotaru, Aurelian European Journal of Inorganic Chemistry, Vol. 2011, Issue 26 https://doi.org/10.1002/ejic.201100364	journal	August 2011
Anisotropy in the magnetic and transport properties of ${Fe}_{1 - x} {Co}_{x} {Sb}_{2}$ Hu, Rongwei; Mitrović, V. F.; Petrovic, C. Physical Review B, Vol. 74, Issue 19 https://doi.org/10.1103/PhysRevB.74.195130	journal	November 2006
Continuous magnetic and structural phase transitions in Fe $_{1 + y}$ Te Zaliznyak, I. A.; Xu, Z. J.; Wen, J. S. Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/PhysRevB.85.085105	journal	February 2012
Geometrically frustrated magnetic materials Greedan, John E. Journal of Materials Chemistry, Vol. 11, Issue 1 https://doi.org/10.1039/b003682j	journal	January 2001
Superconductivity, magnetism, and stoichiometry of single crystals of ${Fe}_{1 + y} {({Te}_{1 - x} S_{x})}_{z}$ Hu, Rongwei; Bozin, Emil S.; Warren, J. B. Physical Review B, Vol. 80, Issue 21 https://doi.org/10.1103/PhysRevB.80.214514	journal	December 2009
Kondo insulator description of spin state transition in FeSb2 Petrovic, C.; Lee, Y.; Vogt, T. Physical Review B, Vol. 72, Issue 4 https://doi.org/10.1103/PhysRevB.72.045103	journal	July 2005
Magnetic properties and neutron diffraction study of two manganese sulfosalts: monoclinic MnSb2S4 and benavidesite (MnPb4Sb6S14) Léone, Philippe; Doussier-Brochard, Charlotte; André, Gilles Physics and Chemistry of Minerals, Vol. 35, Issue 4 https://doi.org/10.1007/s00269-007-0213-3	journal	January 2008
Neutron diffraction study of magnetic ordering of the manganese bismuth chloro-sulfide: MnBiS2Cl Doussier-Brochard, C.; Léone, P.; André, G. Materials Research Bulletin, Vol. 44, Issue 4 https://doi.org/10.1016/j.materresbull.2008.09.028	journal	April 2009
Electronic structure of the antiferromagnetic semiconductor $Mn {Sb}_{2} S_{4}$ Matar, S. F.; Weihrich, R.; Kurowski, D. Physical Review B, Vol. 71, Issue 23 https://doi.org/10.1103/PhysRevB.71.235207	journal	June 2005
Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany: composition, physical properties and determination of the crystal structure Bindi, L.; Menchetti, S. Mineralogy and Petrology, Vol. 85, Issue 3-4 https://doi.org/10.1007/s00710-005-0083-7	journal	May 2005
Colossal Seebeck effect enhanced by quasi-ballistic phonons dragging massive electrons in FeSb2 Takahashi, H.; Okazaki, R.; Ishiwata, S. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12732	journal	September 2016
Donor and acceptor impurity-driven switching of magnetic ordering in MnSb _2−x Sn _x Se ₄ Djieutedjeu, Honore; Zhou, Xiaoyuan; Chi, Hang J. Mater. Chem. C, Vol. 2, Issue 30 https://doi.org/10.1039/C4TC00672K	journal	January 2014
Classical spin and quantum-mechanical descriptions of geometric spin frustration Dai, Dadi; Whangbo, Myung-Hwan The Journal of Chemical Physics, Vol. 121, Issue 2 https://doi.org/10.1063/1.1760749	journal	July 2004
Analysis of the Magnetic Structure and Ferroelectric Polarization of Monoclinic MnSb ₂ S ₄ by Density Functional Theory Calculations Tian, Chuan; Lee, Changhoon; Kan, Erjun Inorganic Chemistry, Vol. 49, Issue 23 https://doi.org/10.1021/ic101351b	journal	December 2010
Coexistence of High- T _c Ferromagnetism and n -Type Electrical Conductivity in FeBi ₂ Se ₄ Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan Journal of the American Chemical Society, Vol. 137, Issue 2 https://doi.org/10.1021/ja5084255	journal	January 2015
Thermal Conductivity of Silicon and Germanium from 3°K to the Melting Point Glassbrenner, C. J.; Slack, Glen A. Physical Review, Vol. 134, Issue 4A https://doi.org/10.1103/PhysRev.134.A1058	journal	May 1964
Synthesis and X-ray Diffraction Characterization of FeNdSbS ₄ , an Analog of Berthierite Gasymov, V. A.; Gasymova, G. N.; Aliev, O. M. Inorganic Materials, Vol. 40, Issue 10 https://doi.org/10.1023/B:INMA.0000046476.39031.ae	journal	October 2004
A new modification of MnSb2S4 crystallizing in the HgBi2S4 structure type Pfitzner, Arno; Kurowski, D. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 215, Issue 6 https://doi.org/10.1524/zkri.2000.215.6.373	journal	January 2000
Marcasite-type Semiconductors Hulliger, F. Nature, Vol. 198, Issue 4885 https://doi.org/10.1038/1981081b0	journal	June 1963
Energy bands in TX2 compounds with pyrite, marcasite, and arsenopyrite structures Goodenough, John B. Journal of Solid State Chemistry, Vol. 5, Issue 1 https://doi.org/10.1016/0022-4596(72)90022-9	journal	July 1972
Synthesis and structure of two phases with both extended and point defects: Mn1 − xBi2 + yS4andMn1 − xBi2 + ySe4 Lee, Stephen; Fischer, Ernest; Czerniak, Jeff Journal of Alloys and Compounds, Vol. 197, Issue 1 https://doi.org/10.1016/0925-8388(93)90609-Q	journal	June 1993
Chemical Manipulation of Magnetic Ordering in Mn _{1– x} Sn _x Bi ₂ Se ₄ Solid–Solutions Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Poudeu, Pierre F. P. Journal of the American Chemical Society, Vol. 134, Issue 34 https://doi.org/10.1021/ja303952w	journal	August 2012
Anisotropy and large magnetoresistance in the narrow-gap semiconductor ${FeSb}_{2}$ Petrovic, C.; Kim, J. W.; Bud’ko, S. L. Physical Review B, Vol. 67, Issue 15 https://doi.org/10.1103/PhysRevB.67.155205	journal	April 2003
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential Tran, Fabien; Blaha, Peter Physical Review Letters, Vol. 102, Issue 22 https://doi.org/10.1103/PhysRevLett.102.226401	journal	June 2009
57Fe Mössbauer absorption study in berthierite (FeSb2S4) Bonville, P.; Garcin, C.; Gérard, A. Hyperfine Interactions, Vol. 52, Issue 3 https://doi.org/10.1007/BF02651314	journal	December 1989
Magnetic properties and spiral magnetic structure of berthierite FeSb2S4 Wintenberger, M.; André, G. Physica B: Condensed Matter, Vol. 162, Issue 1 https://doi.org/10.1016/0921-4526(90)90086-A	journal	March 1990
THE ROLE OF THE Sb3+ LONE-ELECTRON PAIRS AND Fe2+ COORDINATION IN THE HIGH-PRESSURE BEHAVIOR OF BERTHIERITE Periotto, B.; Balic-zunic, T.; Nestola, F. The Canadian Mineralogist, Vol. 50, Issue 2 https://doi.org/10.3749/canmin.50.2.201	journal	April 2012
Total-energy all-electron density functional method for bulk solids and surfaces Weinert, M.; Wimmer, E.; Freeman, A. J. Physical Review B, Vol. 26, Issue 8 https://doi.org/10.1103/PhysRevB.26.4571	journal	October 1982
Anisotropy in the magnetic and electrical transport properties of ${Fe}_{1 - x} {Cr}_{x} {Sb}_{2}$ Hu, Rongwei; Mitrović, V. F.; Petrovic, C. Physical Review B, Vol. 76, Issue 11 https://doi.org/10.1103/PhysRevB.76.115105	journal	September 2007
Tunable ( $δ π$ , $δ π$ )-Type Antiferromagnetic Order in $α$ -Fe(Te,Se) Superconductors Bao, Wei; Qiu, Y.; Huang, Q. Physical Review Letters, Vol. 102, Issue 24 https://doi.org/10.1103/PhysRevLett.102.247001	journal	June 2009
Electronic Griffiths Phase in the Te-Doped Semiconductor ${FeSb}_{2}$ Hu, Rongwei; Wang, Kefeng; Ryu, Hyejin Physical Review Letters, Vol. 109, Issue 25 https://doi.org/10.1103/PhysRevLett.109.256401	journal	December 2012
Model for Lattice Thermal Conductivity at Low Temperatures Callaway, Joseph Physical Review, Vol. 113, Issue 4 https://doi.org/10.1103/PhysRev.113.1046	journal	February 1959
Colossal Seebeck coefficient in strongly correlated semiconductor FeSb ₂ Bentien, A.; Johnsen, S.; Madsen, G. K. H. Europhysics Letters (EPL), Vol. 80, Issue 1 https://doi.org/10.1209/0295-5075/80/17008	journal	September 2007
Enhancement of the thermoelectric properties of MnSb ₂ Se ₄ through Cu resonant doping Li, Shanming; Zhao, Huaizhou; Zhang, Han RSC Advances, Vol. 5, Issue 120 https://doi.org/10.1039/C5RA20688J	journal	January 2015
Structural-Distortion-Driven Cooperative Magnetic and Semiconductor-to-Insulator Transitions in Ferromagnetic FeSb2Se4 Djieutedjeu, Honore; Poudeu, Pierre F. P.; Takas, Nathan J. Angewandte Chemie International Edition, Vol. 49, Issue 51 https://doi.org/10.1002/anie.201005458	journal	November 2010
Crystal Structure, Mössbauer Spectra, Thermal Expansion, and Phase Transition of Berthierite FeSb2S4 Łukaszewicz, K.; Pietraszko, A.; Stępień-Damm, J. Journal of Solid State Chemistry, Vol. 162, Issue 1 https://doi.org/10.1006/jssc.2001.9347	journal	November 2001

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Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions Tran, Fabien; Doumont, Jan; Kalantari, Leila Journal of Applied Physics, Vol. 126, Issue 11 https://doi.org/10.1063/1.5118863	journal	September 2019

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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)