High temperature ferromagnetic metal: a Janus CrSSe monolayer

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Two-dimensional (2D) ferromagnets are crucial for spintronic devices.
• Low Curie temperatures (T_C) of existing 2D ferromagnets hinder practical applications.

Purpose of the Study:

• To predict and systematically investigate a new Janus CrSSe ferromagnetic monolayer.
• To explore its magnetic properties, stability, and potential for experimental synthesis.

Main Methods:

• Global optimization evolutionary algorithm.
• Density functional theory (DFT) calculations.
• Monte Carlo simulations.

Main Results:

• Predicted a Janus CrSSe ferromagnetic monolayer with a Curie temperature of 272 K, tunable up to 496 K with tensile strain.
• Observed large magnetic anisotropy energy (1.4 meV Cr^-1).
• Demonstrated tunable magnetic order (ferromagnetic to antiferromagnetic) under strain and excellent material stability.

Conclusions:

• The Janus CrSSe monolayer exhibits promising properties for spintronic applications.
• Its predicted stability and tunable characteristics suggest feasibility for experimental realization.