Filled skutterudite antimonides: Electron crystals and phonon glasses

Sales, B. C.; Mandrus, David; Chakoumakos, Bryan C.; Keppens, Veerle; Thompson, James R.

doi:10.1103/physrevb.56.15081

Cited by 831 publications

(518 citation statements)

References 20 publications

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“…11,14 Five different samples of Sb x CoSb 3Àx were prepared from CoSb 3 in a toroidal-type chamber assembled in a 400 ton hydraulic press. Sample #1 was prepared by submitting CoSb 3 to 7.7 GPa and 550 C for 20 min.…”

Section: Methodsmentioning

confidence: 99%

Antimony desinsertion reaction from SbxCoSb3−x

Miotto

Figueiredo

Ramos

et al. 2011

Journal of Applied Physics

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Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: The case of the halide ions F−, Cl−, and Br− J. Chem. Phys. 136, 044509 (2012) Structure, energetics, and reactions of alkali tetramers J. Chem. Phys. 136, 014306 (2012) Influence of solute-solvent coordination on the orientational relaxation of ion assemblies in polar solvents J. Chem. Phys. 136, 014501 (2012) Theoretical study of the aqueous solvation of HgCl2: Monte Carlo simulations using second-order Moller-Plessetderived flexible polarizable interaction potentials J. Chem. Phys. 136, 014502 (2012) A two-dimensional-reference interaction site model theory for solvation structure near solid-liquid interface

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Section: Methodsmentioning

confidence: 99%

Antimony desinsertion reaction from SbxCoSb3−x

Miotto

Figueiredo

Ramos

et al. 2011

Journal of Applied Physics

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“…Filled skutterudites were first synthesised by Jeitschko and Braun 123 and they became a target of intense scrutiny as TE materials in the late 1990s. [124][125][126] Compared with the conventional compounds with the chemical-bond homogeneity, the fillers possess much larger ADPs compared with the atoms forming the framework, leading to chemical-bond hierarchy and much reduced κ L . Nolas et al 127 found that the point defect scattering is not sufficient to explain the very low κ L in partially filled skutterudites.…”

Section: From the Conventional Phonon-phonon Interactions To Nanostrumentioning

confidence: 99%

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

et al. 2016

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During the last two decades, we have witnessed great progress in research on thermoelectrics. There are two primary focuses. One is the fundamental understanding of electrical and thermal transport, enabled by the interplay of theory and experiment; the other is the substantial enhancement of the performance of various thermoelectric materials, through synergistic optimisation of those intercorrelated transport parameters. Here we review some of the successful strategies for tuning electrical and thermal transport. For electrical transport, we start from the classical but still very active strategy of tuning band degeneracy (or band convergence), then discuss the engineering of carrier scattering, and finally address the concept of conduction channels and conductive networks that emerge in complex thermoelectric materials. For thermal transport, we summarise the approaches for studying thermal transport based on phonon-phonon interactions valid for conventional solids, as well as some quantitative efforts for nanostructures. We also discuss the thermal transport in complex materials with chemical-bond hierarchy, in which a portion of the atoms (or subunits) are weakly bonded to the rest of the structure, leading to an intrinsic manifestation of part-crystalline part-liquid state at elevated temperatures. In this review, we provide a summary of achievements made in recent studies of thermoelectric transport properties, and demonstrate how they have led to improvements in thermoelectric performance by the integration of modern theory and experiment, and point out some challenges and possible directions. INTRODUCTION Thermoelectric (TE) materials are materials that can generate useful electric potentials when subjected to a temperature gradient (known as the Seebeck effect). Conversely, they also transfer heat against the temperature gradient when a current is driven against this potential (known as the Peltier effect). They are promising energy materials with many applications, such as waste heat harvesting, radioisotope TE power generation, and solid state Peltier refrigeration, all of which are driving growing research interest. A key challenge is to improve the TE properties in order to obtain more efficient energy conversion and in turn enable new practical applications. Good TE materials must have excellent electrical transport properties, measured by the TE power factor ( = S 2 σ, where S is the Seebeck coefficient and σ is the electrical conductivity), and also a very low thermal conductivity κ (composed of the electronic contribution κ e , the lattice contribution κ L , and the bipolar contribution κ bi ). Combining the two aspects gives us the dimensionless figure of merit ZT,

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“…Recent efforts to design materials with enhanced thermoelectric properties were mainly focused on reducing the lattice contribution to thermal conductivity by alloy scattering, superstructures or nanostructure engineering. [3][4][5] On the other hand, interest in the potential merits of electronic correlation effects was revived by the discovery of large Seebeck coefficients in transition metal compounds, such as FeSi and Na x CoO 2 . 6,7 In a Kondo insulator, localized f or d states hybridize with conduction electron states leading to the formation of a small hybridization gap with the large density of states (DOS) just below and above the gap.…”

Section: Introductionmentioning

confidence: 99%

Enhancement of the thermoelectric properties in doped FeSb2 bulk crystals

Warren

Petrović

2012

Journal of Applied Physics

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Kondo insulator FeSb 2 with large Seebeck coefficient would have potential in thermoelectric applications in cryogenic temperature range if it had not been for large thermal conductivity κ. Here we studied the influence of different chemical substitutions at Fe and Sb site on thermal conductivity and thermoelectric effect in high quality single crystals. At 5% of Te doping at Sb site thermal conductivity is suppressed from ∼ 250 W/Km in undoped sample to about 8 W/Km. However, Cr and Co doping at Fe site suppresses thermal conductivity more slowly than Te doping, and even at 20% Cr/Co doping the thermal conductivity remains ∼ 30 W/Km. The analysis of different contributions to phonon scattering indicates that the giant suppression of κ with Te is due to the enhanced point defect scattering originating from the strain field fluctuations. In contrast, Te-doping has small influence on the correlation effects and then for small Te substitution the large magnitude of the Seebeck coefficient is still preserved, leading to the enhanced thermoelectric figure of merit (ZT ∼ 0.05 at ∼ 100 K) in Fe(Sb 0.9 Te 0.1 ) 2 .

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Filled skutterudite antimonides: Electron crystals and phonon glasses

Cited by 831 publications

References 20 publications

Antimony desinsertion reaction from SbxCoSb3−x

Antimony desinsertion reaction from SbxCoSb3−x

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

Enhancement of the thermoelectric properties in doped FeSb2 bulk crystals

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