Two-dimensional stable Fe-based ferromagnetic semiconductors: FeI3 and FeI1.5Cl1.5 monolayers
文献信息
Y. Hu, Y. H. Gong, H. H. Zeng, J. H. Wang, X. L. Fan
Two-dimensional (2D) ferromagnetic (FM) semiconductors are highly desirable in next generation spintronic devices. Herein, we report an intrinsic FM semiconductor, an FeI3 monolayer which can be exfoliated from its bulk crystal owing to the small cleavage energy and the high in-plane stiffness. The FeI3 monolayer is dynamically and mechanically stable. Additionally, the FeI3 monolayer has sizable magneto-crystalline anisotropy energy (MAE) and the Curie temperature is higher than the liquid-nitrogen temperature (77 K), and there is a big discrepancy (Δcbm) between the conduction band minimum of the two spin-channels and negligible thermally induced hop. Carrier doping less than 0.1 e per unit cell further improves the relevant properties by modulating the MAE, Curie temperature, and Δcbm. Moreover, the isoelectronic analogue FeI1.5Cl1.5 monolayer is a bipolar FM semiconductor with a high Curie temperature (260 K). Our results demonstrate promising applications of the FeI3 monolayer in next-generation spintronic devices owing to its robust intrinsic ferromagnetism and novel semiconducting properties.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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