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

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Article number128643
JournalMaterials Chemistry and Physics
Volume312
DOIs
StatePublished - 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

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