Professor Deng Junkai, hailing from the Strength Laboratory within the School of Materials Science and Engineering at Xi'an Jiaotong University, teamed up with Professor Liu Zhe from the University of Melbourne in Australia. Leveraging Deep Potential Molecular Dynamics (DeePMD) simulations, they made a groundbreaking discovery: for the first time ever, they identified a unique ferroelectric topological domain structure in the two-dimensional material composed of elemental Biene. This structure is formed through the intricate interweaving of 'domain pairs'.

Furthermore, the researchers delved into the topological robustness of this structure and its domain boundary evolution behavior when subjected to mechanical loading. By meticulously controlling simulation conditions, the research team scrutinized the thermodynamic and kinetic properties of four typical domain boundaries (namely, charged and neutral 90° and 180° domain boundaries) at finite temperatures. Their findings unveiled a distinctive Shuffle-type polarization switching mechanism at play for the 180° charged domain boundary. In contrast, the 90° domain boundary adheres to the conventional bond-forming and bond-breaking mechanism.