356 citations · 1.3k across the 17 of their papers we have counts for
4 papers · 1 filter
Competing multiferroic phases in monolayer and few-layer NiI
Nanshu Liu, Cong Wang, Changlin Yan +4
A recent experiment reported type-II multiferroicity in monolayer (ML) NiI based on a presumed spiral magnetic configuration (Spiral-B), which is, as we found here, under deb…
Realistic Spin Model for Multiferroic NiI
Xuanyi Li, Changsong Xu, Boyu Liu +3
A realistic first-principle-based spin Hamiltonian is constructed for the type-II multiferroic NiI, using a symmetry-adapted cluster expansion method. Besides single ion anisot…
General Theory for Bilayer Stacking Ferroelectricity
Junyi Ji, Changsong Xu, H. J. Xiang
Two-dimensional (2D) ferroelectrics, which is rare in nature, enable high-density non-volatile memory with low energy consumption. Here, we propose a theory of bilayer stacking fer…
Spin-Dependent Graph Neural Network Potential for Magnetic Materials
Hongyu Yu, Yang Zhong, Liangliang Hong +4
The development of machine learning interatomic potentials has immensely contributed to the accuracy of simulations of molecules and crystals. However, creating interatomic potenti…