1 citations · 1 across the 1 of their papers we have counts for
5 papers
Symmetry-adapted graph neural networks for constructing molecular dynamics force fields
Zun Wang, Chong Wang, Sibo Zhao +4
Molecular dynamics is a powerful simulation tool to explore material properties. Most of the realistic material systems are too large to be simulated with first-principles molecula…
In-plane ordering of O vacancies in a high-Tc cuprate superconductor with compressed Cu-O octahedrons: a first-principles cluster expansion study
Yunhao Li, Shiqiao Du, Zheng-Yu Weng +1
A recently discovered high-Tc cuprate superconductor Ba2CuO exhibits exceptional Jahn-Teller distortion, wherein the CuO6 octahedrons are compressed along the c axis. As a…
Berry Curvature Engineering by Gating Two-Dimensional Antiferromagnets
Shiqiao Du, Peizhe Tang, Jiaheng Li +4
Recent advances in tuning electronic, magnetic, and topological properties of two-dimensional (2D) magnets have opened a new frontier in the study of quantum physics and promised e…
Giant Enhancement of Solid Solubility in Monolayer BNC Alloys by Selective Orbital Coupling
Shiqiao Du, Jianfeng Wang, Lei Kang +2
Solid solubility (SS) is one of the most important features of alloys, which is usually difficult to be largely tuned in the entire alloy concentrations by external approaches. Som…
Intrinsic magnetic topological insulators in van der Waals layered MnBiTe-family materials
Jiaheng Li, Yang Li, Shiqiao Du +6
The interplay of magnetism and topology is a key research subject in condensed matter physics and material science, which offers great opportunities to explore emerging new physics…