132 citations · 295 across the 11 of their papers we have counts for
11 papers
Skyrmion nucleus resolves the Landauer paradox
Jiyuan Yang, Denan Li, Shi Liu
Ferroelectric switching is among the most fundamental and widely studied symmetry-breaking processes in physics. However, the Landauer paradox asserts that an ideal single-domain f…
Unlocking Static Polarization and Strain Density Waves in Perovskites by Softening a Hidden Antiferrodistortive Tilt Gradient Mode
Yajun Zhang, Devesh R. Kripalani, Xu He +9
Spin density waves (SDWs) represent a fundamental paradigm of spatially modulated order in condensed matter systems, yet their electrical and mechanical analogues polarization and…
Enhancing ferroelectric stability: Wide-range of adaptive control in epitaxial HfO2/ZrO2 superlattices
Jingxuan Li, Shiqing Deng, Liyang Ma +12
The metastability of the polar phase in HfO2, despite its excellent compatibility with the complementary metal-oxide-semiconductor process, remains a key obstacle for its industria…
Are Foundational Atomistic Models Reliable for Finite-Temperature Molecular Dynamics?
Denan Li, Jiyuan Yang, Xiangkai Chen +2
Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of class…
Topological phase transitions in perovskite superlattices driven by temperature, electric field, and doping
Jiyuan Yang, Shi Liu
Many dipolar topological structures have been experimentally demonstrated in (PbTiO)/(SrTiO) superlattices, such as flux-closure, vortice, and skyrmion. In this wor…
Theoretical lower limit of coercive field in ferroelectric hafnia
Jiyuan Yang, Jing Wu, Jingxuan Li +4
The high coercive field () of hafnia-based ferroelectrics presents a major obstacle to their applications. The ferroelectric switching mechanisms in hafnia that dictate ,…
Giant piezoelectric effects of topological structures in stretched ferroelectric membranes
Yihao Hu, Jiyuan Yang, Shi Liu
Freestanding ferroelectric oxide membranes emerge as a promising platform for exploring the interplay between topological polar ordering and dipolar interactions that are continuou…
DPA-2: a large atomic model as a multi-task learner
Duo Zhang, Xinzijian Liu, Xiangyu Zhang +40
The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demo…
Universal interatomic potential for perovskite oxides
Jing Wu, Jiyuan Yang, Yuan-Jinsheng Liu +5
With their celebrated structural and chemical flexibility, perovskite oxides have served as a highly adaptable material platform for exploring emergent phenomena arising from the i…
Modular development of deep potential for complex solid solutions
Jing Wu, Jiyuan Yang, Liyang Ma +2
The multicomponent oxide solid solution is a versatile platform to tune the delicate balance between competing spin, charge, orbital, and lattice degrees of freedom for materials d…
Onsite and intersite electronic correlations in the Hubbard model for halide perovskites
Jiyuan Yang, Tianyuan Zhu, Shi Liu
Halide perovskites (HPs) are widely viewed as promising photovoltaic and light-emitting materials for their suitable band gaps in the visible spectrum. Density functional theory (D…