6 papers
A Catalogue of Topological Moiré Bands in Twisted Semiconductors
Jiaheng Li, Yan Zhang, Jiaxuan Liu +5
Twisted two-dimensional semiconductors provide a route to flat and topological moiré minibands, but systematic principles for organizing their material dependence have remained un…
A Geometric Design Principle for Topological Phases in Twisted Triangular-Lattice Bilayers
Jiaheng Li, Jiaxuan Liu, Yan Zhang +3
Twisted van der Waals bilayers provide a versatile platform for moiré electronic states, yet a transferable symmetry-based principle for time-reversal-invariant moi…
Chern-Selective multi-valley Flat Bands in Twisted Mono-Bilayer and Mono-Trilayer MoTe
Ziyue Qi, Hanqi Pi, Yan Zhang +6
The interplay between moiré flat bands originating from different valleys can give rise to a variety of exotic quantum phases. In this work, we investigate the electronic properti…
Materials discovery acceleration by using condition generative methodology
Caiyuan Ye, Yuzhi Wang, Xintian Xie +10
With the rapid advancement of AI technologies, generative models have been increasingly employed in the exploration of novel materials. By integrating traditional computational app…
DPmoire: A tool for constructing accurate machine learning force fields in moiré systems
Jiaxuan Liu, Zhong Fang, Hongming Weng +1
In moiré systems, the impact of lattice relaxation on electronic band structures is significant, yet the computational demands of first-principles relaxation are prohibitively hig…
Universal Moiré-Model-Building Method without Fitting: Application to Twisted MoTe and WSe
Yan Zhang, Hanqi Pi, Jiaxuan Liu +8
We develop a comprehensive method to construct analytical continuum models for moiré systems directly from first-principle calculations without any parameter fitting. The core ide…