Bismuth-containing semiconductors GaAs1−xBix for energy conversion: Thermoelectric properties

Reshak, A.H.

doi:10.1016/j.mssp.2022.106850

Cited by 5 publications

(8 citation statements)

References 39 publications

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“…Materials with good thermoelectric properties can be used to convert thermal energy (heat) to electrical energy [36]. The movement of charges for energy transfer produces a heat gradient, which results in a potential difference and a thermoelectric effect [57]. Thermoelectric refrigerators, detectors, and cooling systems are some of the practical applications of thermoelectric materials [57].…”

Section: Thermoelectric Propertiesmentioning

confidence: 99%

“…The movement of charges for energy transfer produces a heat gradient, which results in a potential difference and a thermoelectric effect [57]. Thermoelectric refrigerators, detectors, and cooling systems are some of the practical applications of thermoelectric materials [57]. Due to the low thermal and high electronic conductivity of double perovskite materials, they are widely used for this purpose [36].…”

Section: Thermoelectric Propertiesmentioning

confidence: 99%

“…The quantity ZT refers to a set of material features that have to be enhanced to produce a functional TE generator. To be used in device engineering, a good TE material must have ZT greater than or equal to 1 [57,62]. Plots of figure of merits ZT versus temperature values ranging from 150 to 1300 K of the studied materials are depicted in Fig.…”

Section: Figure Of Merit (Zt )mentioning

confidence: 99%

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<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)

Yahaya,

Yahya,

Ahmed

et al. 2024

Acta Phys. Pol. A

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Device applications in magnetic media, spintronics, oxygen membranes, sensors, etc., are some of the uses of ferrite materials. In this work, we have studied the structural, electronic, magnetic, mechanical, and thermoelectric properties of Cs-based double perovskites Cs2AX6 (A = Ge, Mn; X = Cl, I), using Quantum Espresso with generalized gradient approximation Perdew-Burke-Ernzerhof and Perdew-Burke-Ernzerhof in solids exchange-correlation functionals. The band structure results show that Cs2GeCl6 and Cs2MnCl6 are semiconductors with direct band gaps. However, there are bands crossing observed for Cs2GeI6 from the conduction band minimum to the valence band maximum, indicating the metallic nature of the material. Moreover, Cs2MnI6 has magnetic properties; it exhibits a metallic nature in the spin-up state and a semiconductor nature in the spin-down state, suggesting that it can be used in spintronics applications. The calculated total magnetic moment of Cs2MnCl6 is 3.0µB (for both Perdew-Burke-Ernzerhof and Perdew-Burke-Ernzerhof in solids), while for Cs2MnI6, the calculated total magnetic moments are 3.02µB and 3.06µB, for Perdew-Burke-Ernzerhof and Perdew-Burke-Ernzerhof in solids exchange-correlation functionals, respectively. The results of the mechanical properties calculations show that Cs-based double perovskites Cs2AX6 (A = Ge, Mn; X = Cl, I) are mechanically stable. Cauchy's pressure and Poisson's, Frantsevich's, and Pugh's ratios of the studied materials confirm that Cs2MnCl6 is brittle, while the remaining studied double perovskite materials are ductile. Electrical conductivity, thermal conductivity, Seebeck coefficients, power factor, and figure of merit are the thermoelectric parameters analyzed in this study. Seebeck coefficients, electrical conductivity, and power factor increase with the rise in temperature, and Cs2MnX6 (X = Cl, I) double perovskite materials have higher values of electrical conductivity than Cs2GeX6 (X = Cl, I). All the studied materials have positive type conductivity due to their positive Seebeck coefficient values.

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Section: Thermoelectric Propertiesmentioning

confidence: 99%

Section: Thermoelectric Propertiesmentioning

confidence: 99%

Section: Figure Of Merit (Zt )mentioning

confidence: 99%

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<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)

Yahaya,

Yahya,

Ahmed

et al. 2024

Acta Phys. Pol. A

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“…The code calculates the Seebeck coefficient (S), electrical conductivity (σ), and thermal conductivity (κ e ) at various temperature (T ) values. The power factor (PF) is then obtained by multiplying electrical conductivity with the square of Seebeck coefficient [38,39]:…”

Section: Calculation Of Thermo-electric Propertiesmentioning

confidence: 99%

“…Materials that have thermo-electric properties are being studied for use in converting thermal energy to electrical energy. The charge movement for energy transfer generates a heat gradient, which creates a potential difference and a thermo-electric effect [38]. Thermo-electric materials are widely used in a variety of practical applications, including thermo-electric refrigerators, detectors, and cooling systems [38,60].…”

Section: Thermo-electric Propertiesmentioning

confidence: 99%

A DFT study of optoelectronic, elastic and thermo-electric properties of the double perovskites Rb2SeX6 (X=Br,Cl)

Yahya

Yahaya

Adewale

et al. 2023

J. Nig. Soc. Phys. Sci.

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Thermo-electric (TE) material applications reduce reliance on traditional energy resources by converting heat to electric energy. We have studied, for the first time, the thermo-electric properties of Rb2SeX6 (X=Br,Cl). Using norm-conserving pseudo potentials in a plane wave basis set of Quantum Espresso code, the optoelectronic, elastic and thermo-electric properties of Rb2SeX6 (X=Br,Cl) have been investigated using density functional theory. Generalized Gradient Approximation of Perdew Burke Ernzerhof (GGA-PBE) and Generalized Gradient Approximation of Perdew Burke Ernzerhof adapted for Solid (GGA-PBESol) exchange correlation functionals were employed in all calculations. The band structure plots suggest that the studied double perovskites have indirect band gaps. Rb2SeBr6 band gap values of 1.7574/ 1.569 eV (using GGA-PBE/PBEsol) are remarkably similar to that of two effective inorganic/organic perovskites FAPbI3 and MAPbI3 . Maximum peaks generated from refractive index results indicate possible solar cell uses of the materials because they are in the visible and ultraviolet ranges. The results of other optical properties such as absorption coefficients, electron energy loss, conductivity, and reflectivity concludes that Rb2SeX6 (X=Br,Cl) have good values for electron generation, high potential for applications in the optoelectronic industry and are semiconductor in nature. The calculated shear anisotropy values of Rb2SeBr6/Cl6 are 3.09/1.71, suggesting that they are isotropic materials. With calculated Poisson’s ratio of 0.32 and 0.26, the materials are predicted to be ductile in nature. The two materials are appropriate for thermo-electric applications since their thermal to electrical conductivity ratio are small (the order of 10-5). The calculated minimum values of Seebeck coefficient values of 0.198×103 / 0.166 ×103 (mV/K) at 750 K, for Rb2SeBr6/Cl6 are positive, indicating that they have p-type conduction. Figure of merit values at all temperature range considered are greater than one (ZT > 1) for both Rb2SeBr6 and Rb2SeCl6, suggesting that they are good thermo-electric materials. The results of the calculations provide the basis for the industrial application of Rb2SeBr6/Cl6 as solar cells.

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Magnetothermal properties of two-dimensional electron gas in matched AlGaAs/GaABiN structure

Mbarki,

Ajnef,

Rebey

2024

Appl. Phys. A

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Bismuth-containing semiconductors GaAs1−xBix for energy conversion: Thermoelectric properties

Cited by 5 publications

References 39 publications

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)

A DFT study of optoelectronic, elastic and thermo-electric properties of the double perovskites Rb2SeX6 (X=Br,Cl)

Magnetothermal properties of two-dimensional electron gas in matched AlGaAs/GaABiN structure

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Bismuth-containing semiconductors GaAs1−xBix for energy conversion: Thermoelectric properties

Cited by 5 publications

References 39 publications

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs2AX6 (A = Ge, Mn; X = Cl, I)

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs2AX6 (A = Ge, Mn; X = Cl, I)

A DFT study of optoelectronic, elastic and thermo-electric properties of the double perovskites Rb2SeX6 (X=Br,Cl)

Magnetothermal properties of two-dimensional electron gas in matched AlGaAs/GaABiN structure

Contact Info

Product

Resources

About

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)

<i>Ab Initio</i> Study of the Physical Properties of Cs-Based Double Perovskites Cs₂AX₆ (A = Ge, Mn; X = Cl, I)