Ferromagnetic and Half-Metallic FeC₂ Monolayer Containing C₂ Dimers

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Spintronics demands materials with both ferromagnetism and half-metallicity.
• Existing two-dimensional (2D) metal-carbide sheets lack combined ferromagnetic and half-metallic properties.
• The need for novel 2D materials with tailored electronic characteristics is critical.

Purpose of the Study:

• To predict and theoretically investigate a new 2D material, FeC2, for spintronics.
• To explore the magnetic and electronic properties of the FeC2 sheet.
• To assess the stability and potential experimental identification of the FeC2 sheet.

Main Methods:

• State-of-the-art theoretical calculations were employed.
• Analysis included dynamic, thermal, and mechanical stability assessments.
• Electronic band structure and magnetic properties were computed.

Main Results:

• A ferromagnetic and half-metallic FeC2 sheet with C2 dimers was predicted.
• The FeC2 sheet demonstrated dynamic, thermal, and mechanical stability.
• It exhibits ferromagnetism (Curie temperature 245 K) with semiconducting spin-up and metallic spin-down channels, stable up to 10% strain.

Conclusions:

• The predicted FeC2 sheet is a promising candidate for spintronics applications.
• Its unique structure and properties distinguish it from other 2D metal-carbides.
• Raman and infrared spectra are provided for potential experimental verification.