Strain-induced two-dimensional topological insulators in monolayer 1T'-RuO₂

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid-State Chemistry

Background:

• Two-dimensional (2D) transition metal dichalcogenides (TMDs) are gaining attention for their unique structures and properties.
• Exploring novel 2D materials is crucial for advancing electronic applications.

Purpose of the Study:

• To introduce a new 2D material, 1T rifluoromethyl{'-RuO2', with tunable topological properties.
• To investigate the stability and electronic characteristics of monolayer 1T rifluoromethyl{'-RuO2'.

Main Methods:

• First-principles calculations were employed to analyze the material's properties.
• The study examined the material's dynamic, thermodynamic, energetic stability, and mechanical behavior.
• Investigated the electronic band structure and topological phase transition under strain.

Main Results:

• Monolayer 1T rifluoromethyl{'-RuO2' exhibits dynamic, thermodynamic, and energetic stability.
• The material possesses anisotropic mechanical properties and a direct bandgap as a semiconductor.
• Uniaxial tensile strain induces a topological phase transition from semiconductor to topological insulator via d-d band inversion at the Γ point.

Conclusions:

• Monolayer 1T rifluoromethyl{'-RuO2' demonstrates tunable topological properties, transitioning to a topological insulator under strain.
• The material exhibits promising potential for future electronic devices due to its controllable topological states.
• Topological edge states confirm the nontrivial topological property of the strained material.