Half-metallic ferromagnetism and thermoelectric effect in spinel chalcogenides SrX2S4 (X = Mn, Fe, Co) for spintronics and energy harvesting

Syed Awais Rouf*, Hind Albalawi*, Taharh Zelai, Othman Hakami, Nessrin A. Kattan, Samah Al-Qaisi, S. Bouzgarrou, Muhammad Younas, Khaild I. Hussein, Q. Mahmood

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


Spintronics is an emerging technology in advanced quantum electronics, which has multidirectional applications. In this study, the electronic, magnetic, and thermoelectric characteristics of SrX2S4 (X = Mn, Fe, Co) are computed systematically. The stability in ferromagnetic states is verified by energy released from optimized structures and enthalpy of formation. The Heisenberg model is applied for Curie temperature. The band structures are plotted for both spin ↑ and ↓ configurations, which ensure 100% spin polarization and integer magnetic moments. Furthermore, the metallic behavior in spin ↑ and insulating behavior in spin ↓ confirm half-metallic ferromagnetism. The crystal field energy, direct exchange energy, indirect exchange energy, and exchange constants indicate that ferromagnetism is due to spin of electrons rather than any clusters of transition metals. The effect of thermoelectric parameters on spin functionality of electrons is addressed to enhance the device reliability. The thermoelectric performance is reported by power factor in the temperature span 100–500 K, which is important for energy harvesting.

Original languageEnglish
Article number111601
JournalJournal of Physics and Chemistry of Solids
StatePublished - Nov 2023

Bibliographical note

Funding Information:
This research was funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number ( PNURSP2023R29 ), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. The authors extend their appreciation to the Deanship of Scientific Research at King Khalid University , Saudi Arabia for funding this work through Large Groups Project under grant number L.R.G.P2/247/43 .

Publisher Copyright:
© 2023 Elsevier Ltd


  • DFT
  • Energy harvesting
  • Half-metallic ferromagnetism
  • Spinel chalcogenides
  • Spintronics
  • Thermoelectric

ASJC Scopus subject areas

  • Chemistry (all)
  • Materials Science (all)
  • Condensed Matter Physics


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