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cond-mat.mtrl-sci2026
Large Out-of-plane Polarization in Two-dimensional Bi2O3 Monolayers Predicted by an AI-driven Inverse-design Workflow
Hongmei Tan, Jing Zhang, Shan Gao +2
Two-dimensional (2D) polar oxides with built-in electric fields offer promising opportunities for nanoscale electronics, optoelectronics, and surface charge engineering. However, t…
cond-mat.mtrl-sci2024
Wide-bandgap semiconductor of three-dimensional unconventional stoichiometric NaCl2 crystal
Siyan Gao, Junlin Jia, Xu Wang +13
The expanding applications call for novel new-generation wide-bandgap semiconductors. Here, we show that a compound only composed of the ordinary elements Na and Cl, namely three-d…