Investigating Half-Metallic behavior of doped tin-carbide Sn(1-x)TM(x)C with TM = V, Cr, Mn and Fe: LDA and LDA + U analysis

•TM-doped SnC (V, Cr, Mn, Fe) shows half-metallicity and ferromagnetism, ideal for spintronics.•Structural, electronic, and magnetic properties were studied using LDA and LDA+U for a theoretical overview.•Curie temperatures were computed for different TM concentrations, revealing ferromagnetic phase...

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Bibliographic Details
Published inJournal of magnetism and magnetic materials Vol. 616; p. 172829
Main Authors Samih, A., Salmani, E., Sabbah, Hussein, El Fdil, R., Fadil, Z., Husain, Fohad Mabood, Kim, Seong Cheol, Raorane, Chaitany Jayprakash
Format Journal Article
LanguageEnglish
Published Elsevier B.V 15.03.2025
Subjects
Curie temperature
DMS
Electronic properties
Ferromagnetic
Half-metal
KKR-CPA
LDA
LDA+U
Magnetic properties
SnC
Spintronics
SPR-KKR
Electronic properties
Half-metal
SPR-KKR
LDA
SnC
DMS
Ferromagnetic
LDA+U
KKR-CPA
Spintronics
Curie temperature
Magnetic properties
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ISSN0304-8853
DOI10.1016/j.jmmm.2025.172829

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Summary:•TM-doped SnC (V, Cr, Mn, Fe) shows half-metallicity and ferromagnetism, ideal for spintronics.•Structural, electronic, and magnetic properties were studied using LDA and LDA+U for a theoretical overview.•Curie temperatures were computed for different TM concentrations, revealing ferromagnetic phase stability.•Findings advance doped SnC research for spintronics and nanotechnology applications. This paper investigates the structural, electronic, and magnetic properties of SnC doped with transition metals (TMs) such as V, Cr, Mn, and Fe. The LDA and LDA + U approximations were employed to study the electronic properties of TM-doped SnC. Our findings demonstrate half-metallic behavior and ferromagnetism in these systems. We also calculated the Curie temperature for various TM concentrations and confirmed the mechanical and thermal stability of TM-doped SnC. Moreover, we extend zero-temperature first-principles DFT calculations of TM-doped SnC to finite-temperature Monte Carlo simulations using the Heat Bath algorithm to determine the curie temperature of Sn0.90TM0.10C (TM = V, Cr, Mn).These results enhance our understanding of doped SnC and provide valuable insights into its potential applications in advanced spintronic devices and nanotechnologies.
ISSN:0304-8853
DOI:10.1016/j.jmmm.2025.172829