Effect of filled Gd on structural, elastic and electronic properties of skutterudite structure (TP3; T = Fe, Ru or Os) compounds: A first principles study

Nautiyal, Shashank; Yadav, Priya; Verma, U. P.

doi:10.1016/j.jpcs.2019.109087

Cited by 9 publications

(3 citation statements)

References 38 publications

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“…In semiconductors, the dominant contributor to thermal conductivity is phonons, whereas in metals, electrons or free carriers play a major role in this contribution. 68–70…”

Section: Resultsmentioning

confidence: 99%

“…In semiconductors, the dominant contributor to thermal conductivity is phonons, whereas in metals, electrons or free carriers play a major role in this contribution. [68][69][70] Fig. 7(e) and (f) illustrate the electronic thermal conductivity per relaxation time (k/s) versus chemical potential at a temperature of 300, 600, 900 K for both spin-up and spin-down states.…”

Section: Thermoelectric Propertiesmentioning

confidence: 99%

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Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Nayak,

Gupta

2024

RSC Adv.

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“…In semiconductors, the dominant contributor to thermal conductivity is phonons, whereas in metals, electrons or free carriers play a major role in this contribution. 68–70…”

Section: Resultsmentioning

confidence: 99%

Section: Thermoelectric Propertiesmentioning

confidence: 99%

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Nayak,

Gupta

2024

RSC Adv.

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“…The electron charge density of filled skutterudites has been discussed previously, an intermediate ionic/covalent bonds were observed. [60][61][62][63] Thermoelectric properties.-For Co-Sb based rare Earth filled skutterudites, we are not aware of any theoretical works where the temperature dependence of thermoelectric properties is reported. This motivated us to perform the present ab-initio study.…”

Section: Resultsmentioning

confidence: 99%

Thermoelectric Performance of n-type Filled Skutterudites RECo₄Sb₁₂ Using Rare Earths as Filler Atoms (RE=Nd,Sm,Eu,Yb)

BENAOUAD

Meskine²,

Benbedra³

et al. 2023

ECS J. Solid State Sci. Technol.

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In this work, we perform first-principles calculations based on density functional theory and the semi-classical Boltzmann method to study the structural, mechanical, electronic, and thermoelectric properties of rare earths filled skutterudites RECo4Sb12 (RE= Nd,Sm,Eu,Yb). It is found that these compounds are n-type semiconductors with high effective mass and narrow bandgap. The main focus here is to investigate the effect of filler rare earth elements on the thermoelectric response of binary skutterudite CoSb3. In doing so, we compute for each compound the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and figure of merit in the temperature range from 400 K to 1000 K. The relaxation time and lattice thermal conductivity are calculated as well. Our results reveal that low thermal conductivity and high Seebeck coefficient can be achieved at the same time in RE-filled skutterudites RECo4Sb12, thereby improving their thermoelectric performance which makes them attractive thermoelectric materials at high temperatures.

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Study on the physical properties of Pm-3 m-Os3X (X = V, Nb and Ta) under high pressure by first principles

Yang

Shi

et al. 2021

Appl. Phys. A

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Effect of filled Gd on structural, elastic and electronic properties of skutterudite structure (TP3; T = Fe, Ru or Os) compounds: A first principles study

Cited by 9 publications

References 38 publications

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Thermoelectric Performance of n-type Filled Skutterudites RECo₄Sb₁₂ Using Rare Earths as Filler Atoms (RE=Nd,Sm,Eu,Yb)

Study on the physical properties of Pm-3 m-Os3X (X = V, Nb and Ta) under high pressure by first principles

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Effect of filled Gd on structural, elastic and electronic properties of skutterudite structure (TP3; T = Fe, Ru or Os) compounds: A first principles study

Cited by 9 publications

References 38 publications

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb3 skutterudite

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb3 skutterudite

Thermoelectric Performance of n-type Filled Skutterudites RECo4Sb12 Using Rare Earths as Filler Atoms (RE=Nd,Sm,Eu,Yb)

Study on the physical properties of Pm-3 m-Os3X (X = V, Nb and Ta) under high pressure by first principles

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Product

Resources

About

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb₃ skutterudite

Thermoelectric Performance of n-type Filled Skutterudites RECo₄Sb₁₂ Using Rare Earths as Filler Atoms (RE=Nd,Sm,Eu,Yb)