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Electronic band structure, magnetic, transport and thermodynamic properties of In-filled skutterudites InxCo4Sb12

Leszczynski, J. and Da Ros, V. and Lenoir, B. and Dauscher, A. and Candolfi, C. and Masschelein, P. and Hejtmanek, J. and Kutorasinski, K. and Tobola, J. and Smith, R. I. and Stiewe, C. and Müller, E. (2013) Electronic band structure, magnetic, transport and thermodynamic properties of In-filled skutterudites InxCo4Sb12. Journal of Physics D: Applied Physics, 46 (49), p. 495106. Institute of Physics (IOP) Publishing. DOI: 10.1088/0022-3727/46/49/495106 ISSN 0022-3727

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Official URL: http://iopscience.iop.org/0022-3727/46/49/495106/

Abstract

The thermoelectric and thermodynamic properties of polycrystalline InxCo4Sb12 (0.0 ≤ x ≤ 0.26) skutterudites were investigated and analysed between 2 and 800 K by means of electrical resistivity, thermopower, thermal conductivity and specific heat measurements. Hall effect, sound velocity and thermal expansion measurements were also made in order to gain insights into the transport and elastic properties of these compounds. The impact of the In filling on the crystal structure as well as the thermal dynamics of the In atoms were tracked down to 4 K using powder neutron diffraction experiments. Analyses of the transport data were compared with the evolution of the electronic band structure with x determined theoretically within the Korringa–Kohn–Rostoker method with the coherent potential approximation. These calculations indicate that In gives rise to a remarkably large p-like density of states located at the conduction band edge. The electrical properties show typical trends of heavily doped semiconductors regardless of the In content. The thermal transport in CoSb3 is strongly influenced by the presence of In in the voids of the crystal structure resulting in a drop in the lattice thermal conductivity values in the whole temperature range. The low value of the Grüneisen parameter suggests that this decrease mainly originates from enhanced mass-fluctuations and point-defect scattering mechanisms. The highest thermoelectric figure of merit ZT ~ 1.0 at 750 K was achieved at the maximum In filling fraction, i.e. for x = 0.26.

Item URL in elib:https://elib.dlr.de/92541/
Document Type:Article
Title:Electronic band structure, magnetic, transport and thermodynamic properties of In-filled skutterudites InxCo4Sb12
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Leszczynski, J.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Da Ros, V.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Lenoir, B.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Dauscher, A.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Candolfi, C.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Masschelein, P.CNRS-Université de Lorraine (UMR 7198), Institut Jean Lamour, Parc de Saurupt, CS 50840, F-54011 Nancy, FranceUNSPECIFIED
Hejtmanek, J.Institut of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, CZ-162 53 Praha 6, Czech RepublicUNSPECIFIED
Kutorasinski, K.Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, 30–059 Krakow, PolandUNSPECIFIED
Tobola, J.Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, 30–059 Krakow, PolandUNSPECIFIED
Smith, R. I.ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UKUNSPECIFIED
Stiewe, C.German Aerospace Center, Institute of Materials Research, Köln, GermanyUNSPECIFIED
Müller, E.German Aerospace Center, Institute of Materials Research, Köln, GermanyUNSPECIFIED
Date:15 November 2013
Journal or Publication Title:Journal of Physics D: Applied Physics
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:46
DOI :10.1088/0022-3727/46/49/495106
Page Range:p. 495106
Publisher:Institute of Physics (IOP) Publishing
ISSN:0022-3727
Status:Published
Keywords:Condensed matter: electrical, magnetic and optical Semiconductors Condensed matter: structural, mechanical & thermal ; thermoelectric
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Terrestrial Vehicles (old)
DLR - Research area:Transport
DLR - Program:V BF - Bodengebundene Fahrzeuge
DLR - Research theme (Project):V - Fahrzeugenergiesystem III (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Thermoelectric Materials and Systems
Deposited By: Zabrocki, Dr. Knud
Deposited On:01 Dec 2014 10:39
Last Modified:08 Mar 2018 18:37

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