Intrinsic ferromagnetism and quantum anomalous Hall effect in a CoBr2 monolayer
文献情報
The electronic, magnetic, and topological properties of a CoBr2 monolayer are studied in the framework of density-functional theory (DFT) combined with tight-binding (TB) modeling in terms of the Wannier basis. Our DFT investigation and Monte Carlo simulation show that there exists intrinsic two-dimensional ferromagnetism in the CoBr2 monolayer, thanks to the large out-of-plane magnetocrystalline anisotropic energy. Our further study indicates that the spin–orbit coupling makes it become a topologically nontrivial insulator with a quantum anomalous Hall effect and topological Chern number = 4 and its edge states can be manipulated by changing the width of its nanoribbons and applying strains. The CoBr2 monolayer can be exfoliated from the layered CoBr2 bulk material because its exfoliation energy is between those of graphene and the MoS2 monolayer and it is dynamically stable. These results make us believe that the CoBr2 monolayer can make a promising spintronic material for future high-performance devices.
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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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