Optical, half-metallic and thermoelectric properties of the Co2TaAl [001] film

Mohebbi, Reza; Boochani, Arash; Rezaee, Sahar

doi:10.1007/s12648-020-01836-x

Cited by 3 publications

(1 citation statement)

References 39 publications

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“…For use in energy conversion projects, halfmetallic thermoelectric materials have garnered much interest. [51][52][53][54] By computing the dimensionless figure of merit (ZT = σS 2 T/k), one can determine the thermoelectric efficiency of a material. The calculated values were then employed to evaluate the figure of merit for Cs 2 VCl 6 and Cs 2 VBr 6 .…”

Section: Resultsmentioning

confidence: 99%

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Niaz,

Khan,

Noor

et al. 2023

ECS J. Solid State Sci. Technol.

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Spintronics has become an emerging field based on electronic spin usage for various technological applications. Herein, we explored the ferromagnetic characteristics of novel double-perovskite Cs2VX6 (X=Cl, Br) compounds within the framework of density functional theory. In search of the most stable ground state, we found the ferromagnetic state is at the lowest possible energy state. The structural stability in the cubic phase was assessed from the Goldschmidt tolerance factor, and negative values of formation energies confirmed thermodynamic stability for both compounds. The existence of all positive frequencies in phonon spectra indicates both compounds are thermodynamically stable, and their spin-polarized density of states and band structures revealed the half-metallic ferromagnetism nature. The 100% spin polarization factor and the reasonable magnetic moment values suggest these double-perovskites potential in spintronic applications. Additionally, the thermoelectric response, regarding high power factors suggests these double-perovskites suitability for thermoelectric device applications.

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Section: Resultsmentioning

confidence: 99%

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Niaz,

Khan,

Noor

et al. 2023

ECS J. Solid State Sci. Technol.

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Experimental investigation and thermodynamic assessment of phase equilibria in the Al-Co-Ta ternary system

Wang

Chen

Yang

et al. 2022

Journal of Alloys and Compounds

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Influence of oxygen and nitrogen doping on the structure and magnetic properties of CoNi alloy: First principle calculations

Obeidat

Aladerah

Qaseer

2023

Journal of Physics and Chemistry of Solids

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Optical, half-metallic and thermoelectric properties of the Co2TaAl [001] film

Cited by 3 publications

References 39 publications

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Experimental investigation and thermodynamic assessment of phase equilibria in the Al-Co-Ta ternary system

Influence of oxygen and nitrogen doping on the structure and magnetic properties of CoNi alloy: First principle calculations

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Optical, half-metallic and thermoelectric properties of the Co2TaAl [001] film

Cited by 3 publications

References 39 publications

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs2VX6 (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs2VX6 (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Experimental investigation and thermodynamic assessment of phase equilibria in the Al-Co-Ta ternary system

Influence of oxygen and nitrogen doping on the structure and magnetic properties of CoNi alloy: First principle calculations

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Product

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Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations

Analysis of Structural Stability and Half-Metallic Ferromagnetism of Cs₂VX₆ (X=Cl, Br) Double-Perovskites for Spintronic Applications: Ab-Initio Simulations