activity
20222025
most citedPYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model

17 citations · 17 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2025

Topological Origin of Intrinsic High Chern Numbers in Two-Dimensional MX Materials

Zujian Dai, Xudong Zhu, Lixin He

Despite sharing a common lattice structure, monolayer MX compounds realize quantum anomalous Hall phases with distinct Chern numbers, a striking phenomenon that has not bee…

cs.LG2025

Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials

Shi Yin, Zujian Dai, Xinyang Pan +1

Deep learning methods for electronic-structure Hamiltonian prediction has offered significant computational efficiency advantages over traditional DFT methods, yet the diversity of…

cond-mat.mtrl-sci2023★ 17 cited

PYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model

Gan Jin, ongsheng Pang, Yuyang Ji +2

We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is dire…

cond-mat.mtrl-sci2022

Interplay between the magnetic structures and the surface states in MnBiTe from first-principles studies

Zujian Dai, Gan Jin, Lixin He

The antiferromagnetic (AFM) topological insulator MnBiTe was believed to have a topological surface state (TSS) with large band gap due to the ferromagnetic (FM) order…

cond-mat.mtrl-sci2022

First-principles calculations of the surface states of doped and alloyed topological materials via band unfolding method

Zujian Dai, Gan Jin, Lixin He

One of the most remarkable characteristics of topological materials is that they have special surface states, which are determined by the topological properties of their bulk mater…