Domain-Pair Intertwined Topological Domain Structures in Elemental Bi Monolayer

Area of Science:

• Condensed Matter Physics
• Materials Science
• Nanotechnology

Background:

• Ferroelectric domain walls are crucial for material functionality.
• Charged domain walls, particularly the stable 180° type in Bi monolayers, present novel research avenues.
• Understanding their behavior is key to advanced electronic applications.

Purpose of the Study:

• Investigate the finite-temperature dynamics of domain walls in Bi monolayers.
• Characterize the topological structures and mechanical response of charged 180° domain walls.
• Explore the behavior of these structures under varying tensile strain.

Main Methods:

• Deep Potential Molecular Dynamics (DeePMD) simulations were employed.
• Simulations focused on finite-temperature dynamics of domain walls.
• Analysis involved subjecting domain wall structures to controlled mechanical loading (tensile strain).

Main Results:

• Unique intertwined topological domain structures were discovered, involving charged 180° and conventional 90° domain walls.
• These structures maintained topological integrity up to 4.70% tensile strain.
• Beyond 9% strain, the topological structure disintegrated into parallel charged 180° domain walls.

Conclusions:

• The study reveals unprecedented insights into the topological structures of charged 180° domain walls in Bi monolayers.
• Complex reaction dynamics and transformations under mechanical load were observed.
• Findings lay the groundwork for future research and potential applications in electronic devices.