Full-spectrum thermal analysis in twisted bilayer graphene

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Twisted bilayer graphene exhibits unique electronic properties, including unconventional superconductivity, influenced by interlayer twisting angles.
• Understanding the impact of twisting angles on thermal properties is crucial for harnessing graphene's potential.

Purpose of the Study:

• To investigate the relationship between twisting angles and interfacial thermal resistance in bilayer graphene.
• To explore the influence of temperature and tensile strain on thermal resistance.

Main Methods:

• Classical molecular dynamics simulations were employed to calculate interfacial thermal resistance (R).
• Simulations covered twisting angles from 0° to 359°, with analysis focused on 0° to 60° due to lattice symmetry.
• Phonon density of states and radial distribution functions were computed for mechanistic insights.

Main Results:

• Interfacial thermal resistance exhibits a periodic dependence on the twisting angle.
• Lowest thermal resistance was found at 0° and every 60° thereafter.
• Highest thermal resistance was observed at 30° and every 60° thereafter.

Conclusions:

• The study provides a comprehensive understanding of thermal transport in twisted bilayer graphene as a function of twisting angle.
• Results offer guidelines for designing thermal management devices utilizing twisted bilayer graphene.