Effect of X on the transport properties of skutterudites LaFe4X12 (X = P, As and Sb) compounds

Reshak, A.H.

doi:10.1016/j.jallcom.2015.08.099

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ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.

Reshak

2015

ChemInform

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Effect of X on the Transport Properties of Skutterudites LaFe 4X12 (X: P, As and Sb) Compounds. -The effect of substituting P by As and As by Sb on electronic transport properties in LaFe 4X12 (X: P, As, Sb) is investigated by calculating the electronic band structures with the all-electron full-potential linear augmented plane wave plus local orbitals method within the Becke-Johnson potential. Results show that the substitution has a significant influence on the bands dispersions, bond lengths, effective masses, the carriers mobility, and hence the transport properties. Replacing P by As increases the carriers concentration with temperature while replacing As by Sb does not show a significant increase. LaFe4Sb12 exhibits a low electronic thermal conductivity at 50-600 K with LaFe 4P12 showing the lowest at >650 K. Seebeck coefficients and power factors of all compounds increase with temperature and reach maximum values over the whole temperature range for LaFe 4Sb12. -(RESHAK, A. H.; J. Alloys Compd. 651 (2015) 176-183, http://dx.

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ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.

Reshak

2015

ChemInform

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Thermoelectric properties of skutterudites

Uher

2021

Thermoelectric Energy Conversion

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First principle study of the CuCrTiS4: Spin-glass state and electronic transport

Argunov,

Kartsev

2024

Computational Materials Science

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Effect of X on the transport properties of skutterudites LaFe4X12 (X = P, As and Sb) compounds

Cited by 5 publications

References 35 publications

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.

Thermoelectric properties of skutterudites

First principle study of the CuCrTiS4: Spin-glass state and electronic transport

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Effect of X on the transport properties of skutterudites LaFe4X12 (X = P, As and Sb) compounds

Cited by 5 publications

References 35 publications

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe4X12 (X: P, As and Sb) Compounds.

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe4X12 (X: P, As and Sb) Compounds.

Thermoelectric properties of skutterudites

First principle study of the CuCrTiS4: Spin-glass state and electronic transport

Contact Info

Product

Resources

About

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.

ChemInform Abstract: Effect of X on the Transport Properties of Skutterudites LaFe₄X₁₂ (X: P, As and Sb) Compounds.