Impurity band effects on transport and thermoelectric properties of 
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Knapp, I.; Budinska, B.; Milosavljević, Dragan; Heinrich, P.; Khmelevskyi, Sergii; Moser, Rosita; Podloucky, R.; Prenninger, Peter; Bauer, E.

doi:10.1103/physrevb.96.045204

Cited by 30 publications

(33 citation statements)

References 47 publications

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“…16,17 Considering the temperature-dependent electrical resistivity r(T) obtained on a variety of Fe 2 VAl samples, a distinct nonmetallic behaviour is derived, with room temperature values around 700 mO cm. 7,12,14,16 The absolute resistivity value coincides reasonably well with the small charge carrier density. Furthermore, the decrease of r(T) with increasing temperature reminds of a semiconductor-like electronic structure.…”

Section: Introductionsupporting

confidence: 67%

“…At high temperatures, however, the narrowness of the gap as well as increased electron-phonon scattering leads to a flattening of the r(T) behaviour. 7,12,16 A distinct maximum of the Seebeck coefficient below room temperature seems to confirm this scenario.…”

Section: Introductionmentioning

confidence: 62%

“…The excellent mechanical stability of this full-Heusler material, however, goes along with a large value of the thermal conductivity due to both, the high values of the sound velocity (% v s E 5260 m s À1 ) and of the Debye temperature (y D E 650 to 700 K). 7,12 In a series of investigations during the previous two decades, both with respect to density functional theory (DFT), as well as to experimental studies, the following picture emerged: Fe 2 VAl is a non-magnetic and non-metallic material, exhibiting an intriguing band structure with a narrow gap or pseudogap. Depending on the type of DFT calculation, a semimetallic state results in general, as was already shown by one of the very first band structure calculations on Fe 2 VAl by Weinert et al 13 In this calculation, the conduction band minimum around the high symmetry point X of the Brillouin zone falls below the valence band maximum at the G point.…”

Section: Introductionmentioning

confidence: 99%

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The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl

et al. 2021

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Section: Introductionsupporting

confidence: 67%

Section: Introductionmentioning

confidence: 62%

Section: Introductionmentioning

confidence: 99%

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The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl

et al. 2021

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“…As a result, the considerably low κ along with an enhanced P F lead to a substantial enhancement in the room-temperature ZT from Ru 2 TaAl (∼6.1 × 10 −4 ) to Ru 1.95 Ta 1.05 Al (∼3.4 × 10 −3 ). Although the current ZT value is still lower than that of the state-of-the-art thermoelectric materials, further improvement in ZT by incorporating antisite disorder or by doping various elements in different crystallographic sites should be highly anticipated [12][13][14][15][16][17][18][19][20][21][42][43][44].…”

Section: A Electrical Transport and Thermoelectric Propertiesmentioning

confidence: 97%

Semimetallic behavior in Heusler-type Ru2TaAl and thermoelectric performance improved by off-stoichiometry

et al. 2017

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We report a study of the temperature-dependent electrical resistivity, Seebeck coefficient, thermal conductivity, specific heat, and 27 Al nuclear magnetic resonance (NMR) in Heusler-type Ru 2 TaAl, to shed light on its semimetallic behavior. While the temperature dependence of the electrical resistivity exhibits semiconductorlike behavior, the analysis of low-temperature specific heat reveals a residual Fermi-level density of states (DOS). Both observations can be realized by means of a semimetallic scenario with the Fermi energy located in the pseudogap of the electronic DOS. The NMR Knight shift and spin-lattice relaxation rate show activated behavior at higher temperatures, attributing to the thermally excited carriers across a pseudogap in Ru 2 TaAl. From the first-principles band structure calculations, we further provide a clear picture that an indirect overlap between electron and hole pockets is responsible for the formation of a pseudogap in the vicinity of the Fermi level of Ru 2 TaAl. In addition, an effort for improving the thermoelectric performance of Ru 2 TaAl has been made by investigating the thermoelectric properties of Ru 1.95 Ta 1.05 Al. We found significant enhancements in the electrical conductivity and Seebeck coefficient and marked reduction in the thermal conductivity via the off-stoichiometric approach. This leads to an increase in the figure-of-merit ZT value from 6.1 × 10 −4 in Ru 2 TaAl to 3.4 × 10 −3 in Ru 1.95 Ta 1.05 Al at room temperature. In this respect, a further improvement of thermoelectric performance based on Ru 2 TaAl through other off-stoichiometric attempts is highly probable.

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“…Fe2VAl is highly durable [9] and contains earth-abundant elements. It is a semimetal with a sharp pseudogap, which is favorable for TE applications [10,11].…”

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confidence: 99%

Chemical segregation and precipitation at anti-phase boundaries in thermoelectric Heusler-Fe2VAl

et al. 2020

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Impurity band effects on transport and thermoelectric properties of Fe2−xNixVAl

Cited by 30 publications

References 47 publications

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl

Semimetallic behavior in Heusler-type Ru2TaAl and thermoelectric performance improved by off-stoichiometry

Chemical segregation and precipitation at anti-phase boundaries in thermoelectric Heusler-Fe2VAl

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Impurity band effects on transport and thermoelectric properties of Fe2−xNixVAl

Cited by 30 publications

References 47 publications

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe2VAl

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe2VAl

Semimetallic behavior in Heusler-type Ru2TaAl and thermoelectric performance improved by off-stoichiometry

Chemical segregation and precipitation at anti-phase boundaries in thermoelectric Heusler-Fe2VAl

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The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe₂VAl