What question did this study set out to answer?

To investigate the mechanical, thermoelectric, optical, and structural properties of CoZrFeP using density functional theory.

January 25, 2026Modern Physics Letters B0 citations

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Advanced properties of CoZrFeP Heusler compound: A spin-gapless semiconductor for thermoelectric and spintronic applications

BBB. BelarbiUniversity Ahmed Zabana of Relizane MHM. HouariUniversité de Mostaganem SMS. MesbahUniversité Djilali de Sidi Bel Abbès

Key Points

To investigate the mechanical, thermoelectric, optical, and structural properties of CoZrFeP using density functional theory.
Utilized first-principles density functional theory (DFT) for property evaluations.
Conducted magnetic investigations to determine the spin-gapless semiconductor characteristics.
Assessed thermoelectric performance via Seebeck coefficient and transport coefficients.
Identified CoZrFeP as a spin-gapless semiconductor with a total magnetic moment of 2.0 µB per formula unit.
Demonstrated a high Curie temperature of 1482.46 K, indicating thermal stability.
Highlighted strong thermoelectric performance suitable for high-temperature applications.

Abstract

Employing first-principles density functional theory (DFT), we investigate the mechanical, thermoelectric, optical, and structural properties of the quaternary Heusler compound CoZrFeP. The magnetic investigation of CoZrFeP identifies it as a spin-gapless semiconductor (SGSC), exhibiting a total magnetic moment of 2.0Formula: see text Formula: see textB per formula unit. The spin-polarized projected density of states (PDOS) further confirms its SGSC characteristics, making it suitable for spintronic applications. The elevated Curie temperature of 1482.46Formula: see textK demonstrates its thermal stability. The thermoelectric performance, evaluated through the Seebeck coefficient and associated transport coefficients, highlights the compound’s suitability for high-temperature thermoelectric applications. Overall, CoZrFeP is a promising material for advanced spintronic devices and high-temperature thermoelectric applications.

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Cite This Study

Belarbi et al. (Wed,) studied this question.

synapsesocial.com/papers/6975b1a9feba4585c2d6d224 https://doi.org/https://doi.org/10.1142/s0217984926500338

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