Electronic and thermoelectric properties of Nd-doped Ce-filled skutterudites

Limbu, Nihal; Ram, Mahesh; Joshi, H.; Saxena, Atul; Shankar, A.

doi:10.1039/d1cp04504k

Cited by 2 publications

(1 citation statement)

References 65 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…in TE materials. [8][9][10][11][12] TE materials are a broad family of materials that range from low-to high-temperature variants. Over the years, several different classes of materials have emerged as prospective candidates for a variety of TE applications such as power generation, cooling, temperature measurements, etc.…”

Section: Introductionmentioning

confidence: 99%

An Analysis of Thermoelectric Properties of Skutterudites

Saini,

Lone

2023

Physica Status Solidi (b)

View full text Add to dashboard Cite

In last two decades or so, thermoelectricity has made a considerable progress with several new materials discovered and a significant improvement in the performance of already existing materials. Among the different classes of materials, skutterudites have emerged as materials having tremendous potential for mid‐temperature thermoelectric applications such as energy harvesting, waste heat recovery, etc. In this review, we discuss the thermoelectric properties and latest research developments that have led to a significant improvement in the thermoelectric performance of skutterudites by reducing their otherwise high thermal conductivity to a greater extent. The enhancement of the thermoelectric performance of skutterudites by various techniques such as nanostructuring, filling of voids is also briefly discussed.This article is protected by copyright. All rights reserved.

show abstract

Section: Introductionmentioning

confidence: 99%

An Analysis of Thermoelectric Properties of Skutterudites

Saini,

Lone

2023

Physica Status Solidi (b)

View full text Add to dashboard Cite

show abstract

Impact of Lattice Strain on the Electronic and Thermoelectric Properties of CoAs₃ Skutterudite Material

Mahi,

Meghoufel,

Mostefa

et al. 2024

Physica Status Solidi (b)

View full text Add to dashboard Cite

Using density functional theory (DFT) combined with semi‐classical Boltzmann transport theory, the electronic and thermoelectric properties of binary skutterudite CoAs3 material are investigated up to 30 GPa. Elastic properties calculations confirm the mechanical stability at 0 GPa and under varying hydrostatic pressures, with ductility influenced by pressure. To ensure dynamical stability, the phonon dispersion frequencies are computed at both 0 and 30 GPa. Electronic band structure calculations, using the GGA + TB‐mBJ approximation, indicate that CoAs3 initially exhibits a direct band gap at its equilibrium lattice constant, which shifts to become indirect under increasing pressure. To assess the impact of pressure on the thermoelectric properties of CoAs3, the Seebeck coefficient, thermal conductivities, and figure of merit (ZT) are calculated at pressures of 5, 10, 20, and 30 GPa for various temperatures (300, 600, 900, and 1200 K). These computations provide valuable insights into how varying pressures influence the material's thermoelectric performance. The optimal thermoelectric properties in CoAs3 material are achieved at 5 GPa and 1200 K for n‐doping (20 GPa and 600 K for p‐doping), with an ideal doping concentration of 1.5 × 1021 cm−3 (5.5 × 1018 cm−3). Under these conditions, the material reaches a high figure of merit (ZT) value of 0.52 for n‐doping and 0.49 for p‐doping. These findings underscore CoAs3 as a promising candidate for applications in energy harvesting and optoelectronic systems, showcasing its robust thermoelectric performance under precise pressure and temperature conditions.

show abstract

Electronic and thermoelectric properties of Nd-doped Ce-filled skutterudites

Abstract: The study of electronic and thermoelectric properties of Nd doped Ce filled skutterudites (CeFe4P12, CeFe4As12, and CeOs4P12) were explored using full potential lineralized augmented plane waves (FP-LAPW). The exchange-correlation between...

Cited by 2 publications

References 65 publications

An Analysis of Thermoelectric Properties of Skutterudites

An Analysis of Thermoelectric Properties of Skutterudites

Impact of Lattice Strain on the Electronic and Thermoelectric Properties of CoAs₃ Skutterudite Material

Contact Info

Product

Resources

About

Electronic and thermoelectric properties of Nd-doped Ce-filled skutterudites

Abstract: The study of electronic and thermoelectric properties of Nd doped Ce filled skutterudites (CeFe4P12, CeFe4As12, and CeOs4P12) were explored using full potential lineralized augmented plane waves (FP-LAPW). The exchange-correlation between...

Cited by 2 publications

References 65 publications

An Analysis of Thermoelectric Properties of Skutterudites

An Analysis of Thermoelectric Properties of Skutterudites

Impact of Lattice Strain on the Electronic and Thermoelectric Properties of CoAs3 Skutterudite Material

Contact Info

Product

Resources

About

Impact of Lattice Strain on the Electronic and Thermoelectric Properties of CoAs₃ Skutterudite Material