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cond-mat.mtrl-sci2026
Bridging Crystal Structure and Material Properties via Bond-Centric Descriptors
Jian-Feng Zhang, Ze-Feng Gao, Xiao-Qi Han +7
Although chemical bonding is the fundamental mechanistic bridge connecting atomic structure to macroscopic material properties, current data-driven materials science largely treats…
cond-mat.mtrl-sci2025
Prediction of two-dimensional ferromagnetic VO layers in the hexagonal and tetragonal phases
Lihui Han, Lujia Tian, Bing-Xin Liu +4
Ferromagnetism in the two-dimensional materials is of great significance and has become an emerging topic. The ferromagnetic VS and VSe monolayers have been experimentally…