Condensed Matter: Electronic Structure, Electrical, Magnetic And Optical Properties ×

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Thermodynamically stable 1D magnetic chains: High-throughput discovery of transition-metal chalcogenides and halides

Zong, Canbo, Guo, Deping, Wang, Renhong, Zhang, Weihan, Dai, Jiaqi, Zhang, Zhongqin, Wang, Cong, Kong, Xianghua, Ji, Wei, Wang, Cong, Ji, Wei
2025-07-15 ChinaXiv: chinaxiv-202507.00254 Original EN

The search for novel one-dimensional (1D) materials with exotic physical properties is crucial for advancing nanoelectronics and spintronics. Here, we perform a comprehensive high-throughput, first-principles study to explore the vast landscape of 1D transition-metal chalcogenides and halides. Start…