Effect of Fe substitution on the electronic structure, magnetic and thermoelectric properties of Co 2 FeSi full Heusler alloy: A first principle study

Mohankumar, R.; Ramasubramanian, S.; Rajagopalan, M.; Raja, M. Manivel; Kamat, S.V.; Kumar, J.

doi:10.1016/j.commatsci.2015.07.001

Cited by 21 publications

(2 citation statements)

References 39 publications

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“…In recent years, thermoelectric (TE) materials with a unique electronic structure have attracted intense interest because they can potentially overcome the limitations and trade-offs encountered in the enhancement of TE properties. − In particular, full-Heusler or inverse full-Heusler alloys have become a new research direction in TE material research. − Some of these materials are either half-metals or spin-gapless semiconductors. These types of electronic structures show unique properties: a half-metal has a metallic electronic structure in one of the two spin bands and a semiconducting electronic structure in the other spin band, while in a spin-gapless semiconductor, the valence band and the conduction band are in contact with each other at the Fermi level ( E F ) in one spin band, whereas a band gap exists at E F in the other spin band .…”

Section: Introductionmentioning

confidence: 99%

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Hayashi

Nagashima

et al. 2021

Chem. Mater.

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We report a detailed analysis of the crystal structure, electronic structure, and thermoelectric (TE) properties of a stoichiometric Mn 2 CoAl inverse full-Heusler alloy, which has been predicted to be a spin-gapless semiconductor. To reveal the effects of disorder on TE properties (electrical conductivity and Seebeck coefficient), we prepared Mn 2 Co(Al 1−x Si x ) (x = 0, 0.05, and 0.1) bulk samples by arc melting. The crystal structure analysis indicates that antisite defects exist in the prepared samples. From the measurements of the electrical conductivity and Seebeck coefficient, it is demonstrated that the prepared Mn 2 CoAl alloy is not a spin-gapless semiconductor but a half-metal. A relation between the crystal structure and TE properties is discussed based on the calculation of the electronic structure considering the antisite defects in Mn 2 CoAl.

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Section: Introductionmentioning

confidence: 99%

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Hayashi

Nagashima

et al. 2021

Chem. Mater.

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“…The power factor, PF (= S 2 σ), is used as a measure of the power generation from the TE materials. Recently, research on full-Heusler compounds as a TE material has made rapid progress [7][8][9][10][11][12][13][14][15][16][17][18]. Most full-Heusler compounds possess magnetism which enriches a possibility to achieve high TE properties.…”

Section: Introductionmentioning

confidence: 99%

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds

Hayashi

Dong

et al. 2020

Mater. Res. Express

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Full-Heusler compounds have three crystal structures with a different order degree; the highly ordered L2 1 , partially disordered B2, and completely disordered A2 structures. To reveal the effects of the order degree on thermoelectric (TE) properties of the full-Heusler compounds, Mn 2 VAl samples with varied L2 1 and B2 order degrees are prepared by changing preparation conditions, and their Seebeck coefficients and electrical conductivities are measured in a wide temperature range. As the B2 order degree becomes higher, the Seebeck coefficient increases, leading to the increase of the power factor (PF). The maximum PF is 2.84×10 −4 Wm −1 K −2 at 767 K for the Mn 2 VAl sample with the highest B2 order degree. This study demonstrates that the TE properties of Mn 2 VAl can be enhanced by increasing the fraction of the B2 phase. A relation between the Seebeck coefficient and crystal structures is also discussed based on the calculation of the electronic density of states of Mn 2 VAl with the L2 1 and B2 structures.

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The Surface Effect on the Thermoelectric Property of the [001] and [111] NaMgP Films: A DFT Study

Bordbar

Ahadpour

2019

Int J Thermophys

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Effect of Fe substitution on the electronic structure, magnetic and thermoelectric properties of Co 2 FeSi full Heusler alloy: A first principle study

Cited by 21 publications

References 39 publications

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds

The Surface Effect on the Thermoelectric Property of the [001] and [111] NaMgP Films: A DFT Study

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Effect of Fe substitution on the electronic structure, magnetic and thermoelectric properties of Co 2 FeSi full Heusler alloy: A first principle study

Cited by 21 publications

References 39 publications

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn2CoAl Alloy

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn2CoAl Alloy

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn2VAl compounds

The Surface Effect on the Thermoelectric Property of the [001] and [111] NaMgP Films: A DFT Study

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Product

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Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn₂CoAl Alloy

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds