Bilayer Kagome Borophene with Multiple van Hove Singularities.

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Chemistry

Background:

• Van Hove singularities near the Fermi level drive exotic phenomena like superconductivity and magnetism.
• Kagome lattices are known for their unique electronic band structures.

Purpose of the Study:

• To design and propose a novel borophene material with a bilayer Kagome lattice.
• To investigate the electronic properties and stability of this proposed material.

Main Methods:

• First-principles calculations were employed to design and analyze the material.
• Stability was assessed through energetic, dynamic, thermodynamic, and mechanical evaluations.

Main Results:

• A stable BK-borophene material was proposed, featuring a bilayer Kagome lattice.
• The material exhibits both conventional and high-order van Hove singularities within a single band.
• A high-order van Hove singularity intersects a Dirac-like cone with a high Fermi velocity (1.34 × 10^6 m s^-1).

Conclusions:

• The interaction between Kagome lattices is crucial for high-order van Hove singularities.
• BK-borophene presents a novel platform for studying quantum correlation phenomena.