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Tunable Quantum Anomalous Hall Effects in Ferromagnetic van der Waals Heterostructures
Feng Xue, Yusheng Hou, Zhe Wang +5
The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological pro…
Deep-learning electronic-structure calculation of magnetic superstructures
He Li, Zechen Tang, Xiaoxun Gong +3
Ab initio study of magnetic superstructures (e.g., magnetic skyrmion) is indispensable to the research of novel materials but bottlenecked by its formidable computational cost. For…
Intrinsic and tunable quantum anomalous Hall effect and magnetic topological phases in XYBi2Te5
Xin-Yi Tang, Zhe Li, Feng Xue +6
By first-principles calculations, we study the magnetic and topological properties of XYBi2Te5-family (X, Y = Mn, Ni, V, Eu) compounds. The strongly coupled double magnetic atom-la…
Controllable chirality and band gap of quantum anomalous Hall insulators
Zhiming Xu, Wenhui Duan, Yong Xu
Finding guiding principles to optimize properties of quantum anomalous Hall (QAH) insulators is of pivotal importance to fundamental science and applications. Here, we build a firs…
General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian
Xiaoxun Gong, He Li, Nianlong Zou +3
Combination of deep learning and ab initio calculation has shown great promise in revolutionizing future scientific research, but how to design neural network models incorporating…
Evolution of the electronic structure of ultrathin MnBi2Te4 Films
Runzhe Xu, Yunhe Bai, Jingsong Zhou +18
Ultrathin films of intrinsic magnetic topological insulator MnBi2Te4 exhibit fascinating quantum properties such as quantum anomalous Hall effect and axion insulator state. In this…
Molecular conformer search with low-energy latent space
Xiaomi Guo, Lincan Fang, Yong Xu +4
Identifying low-energy conformers with quantum mechanical accuracy for molecules with many degrees of freedom is challenging. In this work, we use the molecular dihedral angles as…
Topological Quantum Phase Transitions in Metallic Shiba Lattices
Ning Dai, Kai Li, Yan-Bin Yang +1
Shiba bands formed by overlapping Yu-Shiba-Rusinov subgap states in magnetic impurities on a superconductor play an important role in topological superconductors. Here, we theoreti…