Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr2CrXO6 (X = Nb, Mo) for spintronic applications

Muhammad Amin; Ayman S. Alofi; Tariq M. Al-Daraghmeh; Omar Zayed; Murefah mana Al-Anazy; A. I. Aljameel; Muhammad Younas; Rachid Karmouch; Q. Mahmood; Mohamed Adam

doi:10.1016/j.matchemphys.2023.128643

Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr₂CrXO₆ (X = Nb, Mo) for spintronic applications

Muhammad Amin
, Ayman S. Alofi
, Tariq M. Al-Daraghmeh
, Omar Zayed
, Murefah mana Al-Anazy
, A. I. Aljameel
, Muhammad Younas
, Rachid Karmouch
, Q. Mahmood^*
, Mohamed Adam

^*Corresponding author for this work

Core Research Facilities

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The spintronic is an emerging technology which controls the properties of multifactional devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used to explore electronic, magnetic, and thermoelectric characteristics of Sr₂CrXO₆ (X = Nb, Mo) double perovskites (DPs). The evaluation of energies released in paramagnetic (PM), antiferromagnetic (AFM), and ferromagnetic (FM) states assure the stability of FM states. Both the negative formation energy and the tolerance factor confirm structural and thermodynamic stability in FM states. The 100 % spin polarization was confirmed by both integer values of magnetic moment (MM) and the spin polarization factor. The values of exchange energy, double exchange model, hybridization of p-d states, and exchange constants are calculated to explore the nature of ferromagnetism and spin functionality. The effect of thermoelectric parameters on spin of electrons and thermoelectric performance are elaborated by thermal to electrical conductivity ratio, Seebeck coefficient and power factor.

Original language	English
Article number	128643
Journal	Materials Chemistry and Physics
Volume	312
DOIs	https://doi.org/10.1016/j.matchemphys.2023.128643
State	Published - 15 Jan 2024

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.

Keywords

Density functional theory
Half metallic ferromagnetism
Spin polarization
Spintronics
Thermoelectric behavior

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics

Access to Document

10.1016/j.matchemphys.2023.128643

Cite this

Amin, M., Alofi, A. S., Al-Daraghmeh, T. M., Zayed, O., Al-Anazy, M. M., Aljameel, A. I., Younas, M., Karmouch, R., Mahmood, Q., & Adam, M. (2024). Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr₂CrXO₆ (X = Nb, Mo) for spintronic applications. Materials Chemistry and Physics, 312, Article 128643. https://doi.org/10.1016/j.matchemphys.2023.128643

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title = "Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr2CrXO6 (X = Nb, Mo) for spintronic applications",

abstract = "The spintronic is an emerging technology which controls the properties of multifactional devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used to explore electronic, magnetic, and thermoelectric characteristics of Sr2CrXO6 (X = Nb, Mo) double perovskites (DPs). The evaluation of energies released in paramagnetic (PM), antiferromagnetic (AFM), and ferromagnetic (FM) states assure the stability of FM states. Both the negative formation energy and the tolerance factor confirm structural and thermodynamic stability in FM states. The 100 \% spin polarization was confirmed by both integer values of magnetic moment (MM) and the spin polarization factor. The values of exchange energy, double exchange model, hybridization of p-d states, and exchange constants are calculated to explore the nature of ferromagnetism and spin functionality. The effect of thermoelectric parameters on spin of electrons and thermoelectric performance are elaborated by thermal to electrical conductivity ratio, Seebeck coefficient and power factor.",

keywords = "Density functional theory, Half metallic ferromagnetism, Spin polarization, Spintronics, Thermoelectric behavior",

author = "Muhammad Amin and Alofi, \{Ayman S.\} and Al-Daraghmeh, \{Tariq M.\} and Omar Zayed and Al-Anazy, \{Murefah mana\} and Aljameel, \{A. I.\} and Muhammad Younas and Rachid Karmouch and Q. Mahmood and Mohamed Adam",

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doi = "10.1016/j.matchemphys.2023.128643",

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Amin, M, Alofi, AS, Al-Daraghmeh, TM, Zayed, O, Al-Anazy, MM, Aljameel, AI, Younas, M, Karmouch, R, Mahmood, Q & Adam, M 2024, 'Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr₂CrXO₆ (X = Nb, Mo) for spintronic applications', Materials Chemistry and Physics, vol. 312, 128643. https://doi.org/10.1016/j.matchemphys.2023.128643

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AU - Amin, Muhammad

AU - Alofi, Ayman S.

AU - Al-Daraghmeh, Tariq M.

AU - Zayed, Omar

AU - Al-Anazy, Murefah mana

AU - Aljameel, A. I.

AU - Younas, Muhammad

AU - Karmouch, Rachid

AU - Mahmood, Q.

AU - Adam, Mohamed

PY - 2024/1/15

Y1 - 2024/1/15

N2 - The spintronic is an emerging technology which controls the properties of multifactional devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used to explore electronic, magnetic, and thermoelectric characteristics of Sr2CrXO6 (X = Nb, Mo) double perovskites (DPs). The evaluation of energies released in paramagnetic (PM), antiferromagnetic (AFM), and ferromagnetic (FM) states assure the stability of FM states. Both the negative formation energy and the tolerance factor confirm structural and thermodynamic stability in FM states. The 100 % spin polarization was confirmed by both integer values of magnetic moment (MM) and the spin polarization factor. The values of exchange energy, double exchange model, hybridization of p-d states, and exchange constants are calculated to explore the nature of ferromagnetism and spin functionality. The effect of thermoelectric parameters on spin of electrons and thermoelectric performance are elaborated by thermal to electrical conductivity ratio, Seebeck coefficient and power factor.

AB - The spintronic is an emerging technology which controls the properties of multifactional devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used to explore electronic, magnetic, and thermoelectric characteristics of Sr2CrXO6 (X = Nb, Mo) double perovskites (DPs). The evaluation of energies released in paramagnetic (PM), antiferromagnetic (AFM), and ferromagnetic (FM) states assure the stability of FM states. Both the negative formation energy and the tolerance factor confirm structural and thermodynamic stability in FM states. The 100 % spin polarization was confirmed by both integer values of magnetic moment (MM) and the spin polarization factor. The values of exchange energy, double exchange model, hybridization of p-d states, and exchange constants are calculated to explore the nature of ferromagnetism and spin functionality. The effect of thermoelectric parameters on spin of electrons and thermoelectric performance are elaborated by thermal to electrical conductivity ratio, Seebeck coefficient and power factor.

KW - Density functional theory

KW - Half metallic ferromagnetism

KW - Spin polarization

KW - Spintronics

KW - Thermoelectric behavior

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