6 papers
Surface Charge Doping for Ion-Pairing Criticality in Confined Electrolytes
Na Shen, Yabei Wu, Wenqing Zhang
Dielectric confinement strengthens Coulomb correlations in quasi-two-dimensional electrolytes and can promote Bjerrum pairing in charge-neutral slits. Here we use a generalized Deb…
Polarization Engineering of the Orbital Hall Conductivity in Two-dimensional Ferroelectric Higher-Order Topological Insulator TlS and SnS
YingJie Hu, Heng Gao, Yabei Wu +1
Ferroelectric higher-order topological insulators (HOTIs) exhibit tunable physical properties arising from the interplay between ferroelectric polarization and band topology. This…
Material-Property-Field-based Deep Neural Network in Hopfield Framework
Yanxiao Hu, Ye Sheng, Caichao Ye +6
Current deep neural networks (DNNs) used in materials modeling often lack explicit physical structure and clear analytical formulations tailored to material systems, which can limi…
Generative Inverse Design of Cold Metals for Low-Power Electronics
Kedeng Wu, Yucheng Zhu, Yan Chen +6
Cold metals are a class of metals with an intrinsic energy gap located close to the Fermi level, which enables cold-carrier injection for steep-slope transistors and is therefore p…
Out-of-plane displacement of quantum color centers in monolayer h-BN
Zhao Tang, Fanhao Jia, Greis J. Kim-Reyes +3
Color centers exhibiting deep-level states within the wide bandgap h-BN monolayer possess substantial potential for quantum applications. Uncovering precise geometric characteristi…
Global Universal Scaling and Ultra-Small Parameterization in Machine Learning Interatomic Potentials with Super-Linearity
Yanxiao Hu, Ye Sheng, Jing Huang +7
Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However…