Stacking-induced phonon transport engineering of siligene

Area of Science:

• Materials Science
• Condensed Matter Physics

Background:

• Tunable phonon transport in 2D materials is crucial for thermal management.
• Siligene, a 2D material, offers potential for heat dissipation applications.

Purpose of the Study:

• To investigate the tunability of siligene's lattice thermal conductivity.
• To explore the impact of stacking configurations and layer number on thermal transport.

Main Methods:

• First-principles calculations.
• Boltzmann transport theory.

Main Results:

• Siligene's thermal conductivity is tunable via stacking.
• Covalent out-of-plane bonding in stacked siligenes leads to unique thermal properties.
• AA stacking shows higher thermal conductivity than AB stacking in bilayer siligene.
• Thermal conductivity increases with layer number due to reduced phonon scattering.
• Fuchs-Sondheimer model accurately describes thickness-dependent thermal conductivity.

Conclusions:

• Stacking configuration and layer number are effective parameters for engineering siligene's thermal conductivity.
• Siligene presents a promising platform for advanced thermal management solutions.