Exploring room-temperature ferromagnetism in WXBC (X = W, Mn, Fe) monolayers

Area of Science:

• Materials Science
• Condensed Matter Physics
• Computational Chemistry

Background:

• Two-dimensional (2D) materials offer unique electronic and magnetic properties.
• Transition metal boron-carbides are emerging as promising candidates for novel applications.

Purpose of the Study:

• To investigate the stability and magnetic properties of a new class of 2D WXBC (X = W, Mn, Fe) monolayers.
• To explore their potential for spintronics and data storage applications.

Main Methods:

• First-principles calculations based on Density Functional Theory (DFT).
• Monte Carlo (MC) simulations using the 2D Heisenberg model.
• Analysis of magnetic anisotropy energy (MAE) and Curie temperatures (Tc).

Main Results:

• WXBC monolayers exhibit ferromagnetic ground states and metallic electronic properties.
• Demonstrated good energetic, mechanical, and dynamic stability.
• Achieved large MAE and predicted high Curie temperatures (up to 417.39 K).
• Adsorption of Li, Na, and K atoms maintains ferromagnetic properties and ensures immobility.

Conclusions:

• WXBC monolayers are stable, multifunctional materials with significant potential.
• Their unique magnetic and electronic properties make them suitable for advanced spintronics and storage devices.
• Further research into WXBC materials could lead to next-generation magnetic technologies.