17 citations · 22 across the 14 of their papers we have counts for
14 papers
Latent Genetic Algorithm for Crystal Structure Prediction
Kaixin Zheng, Wanjian Yin, Hongyu Yu +1
Predicting crystal structures requires navigating rugged energy landscapes in which favorable local motifs must be inherited across candidates with incompatible cells, densities, a…
Unified definition of ferroelectricity
Wei Luo, Shihan Deng, Hongjun Xiang +1
Recent theoretical and experimental advances in quantum ferroelectrics suggest that ferroelectricity can also emerge in non-polar space group, highlighting the limitations of conve…
A Fully Ab-Initio Spin-Lattice Dynamics Framework for Magnetic Materials
Xianxi Zhang, Hongyu Yu, Liangliang Hong +1
Coupled spin-lattice dynamics (SLD) underlie a wide range of magnetic phenomena, yet a unified first-principles framework that propagates both degrees of freedom without empirical…
Tangent-Plane Evidential Uncertainty in Active Learning for Magnetic Interatomic Potentials
Yang Cheng, Hongyu Yu, Hongjun Xiang
Magnetic interatomic potentials need to account for coupled lattice and spin degrees of freedom, yet constructing reliable training sets remains costly because noncollinear first-p…
Topological-transition-driven Giant Enhancement of Second-harmonic Generation in Ferroelectric Bismuth Monolayer
Wen-Zheng Chen, Hongjun Xiang, Yusheng Hou
The interplay between band topology and light in condensed materials could unlock intriguing nonlinear optical phenomena, enabling modern photonic technologies such as quantum ligh…
Defect-Charge-Driven 90° Switching in HfO2
Muting Xie, Hongyu Yu, Zhihao Dai +3
Hafnium dioxide (HfO2) is a CMOS-compatible ferroelectric showing both 180° and 90° switching, yet the microscopic nature of the 90° pathway remains unresolved. We show that the 90…
Recent Advances in Unconventional Ferroelectrics and Multiferroics
Hongyu Yu, Junyi Ji, Wei Luo +2
Emerging ferroic materials may pave a new way to next-generation nanoelectronic and spintronic devices due to their interesting physical properties. Here, we systematically review…
Moiré-Induced Magnetoelectricity in Twisted Bilayer NiI2
Haiyan Zhu, Hongyu Yu, Weiqin Zhu +3
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moiré superlattices remains challenging. Leveraging a…
Strain-induced gyrotropic effects in ferroelectric BaTiS3
Wei Luo, Asier Zabalo, Guodong Ren +5
Gyrotropic effects, including natural optical activity (NOA) and the nonlinear anomalous Hall effect (NAHE), are crucial for advancing optical and transport devices. We explore the…
Efficient prediction of potential energy surface and physical properties with Kolmogorov-Arnold Networks
Rui Wang, Hongyu Yu, Yang Zhong +1
The application of machine learning methodologies for predicting properties within materials science has garnered significant attention. Among recent advancements, Kolmogorov-Arnol…
Role of Domain Walls on Imprint and Fatigue in HfO2-Based Ferroelectrics
Muting Xie, Hongyu Yu, Binhua Zhang +2
HfO2-based ferroelectric materials are promising for the next generation of memory devices, attracting significant attention. However, their potential applications are significantl…
Deterministic and Efficient Switching of Sliding Ferroelectrics
Shihan Deng, Hongyu Yu, Junyi Ji +2
Recent studies highlight the scientific importance and broad application prospects of two-dimensional (2D) sliding ferroelectrics, which prevalently exhibit vertical polarization w…
Identifying Direct Bandgap Silicon Structures with High-throughput Search and Machine Learning Methods
Rui Wang, Hongyu Yu, Yang Zhong +1
Utilizations of silicon-based luminescent devices are restricted by the indirect-gap nature of diamond silicon. In this study, the high-throughput method is employed to expedite di…
Switchable Ferroelectricity in Subnano Silicon Thin Films
Hongyu Yu, Shihan deng, Muting Xie +5
Recent advancements underscore the critical need to develop ferroelectric materials compatible with silicon. We systematically explore possible ferroelectric silicon quantum films…