Two-dimensional transition-metal halide CoBr3 with spin-polarized Dirac cone

Literature Information

Publication Date 2019-07-18
DOI 10.1039/C9CP03337H
Impact Factor 3.676
Authors

Wei-xi Zhang, Yong Li, Hui Jin, Yan-chao She


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Abstract

Recently, the discovery of two-dimensional transition-metal materials with non-trivial magnetic and electronic properties has spurred huge interest in investigating their applications in nanotechnology. Here, we report that the monolayer of CoBr3 possesses a quantum anomalous Hall insulating phase generated on the basis of first-principles calculations. We find that the CoBr3 monolayer is an intrinsic two-dimensional ferromagnetic material with a Curie temperature Tc = 264 K predicted from Monte Carlo simulations. The phonon spectra analysis indicates that the CoBr3 monolayer is dynamically stable. Taking into account spin–orbit coupling, this makes the electronic structure of the CoBr3 monolayer topologically non-trivial with a global band gap of 8.7 meV. The anomalous Hall conductivity calculation shows a Chern number C = 2, meaning the presence of a two edge state in nanoribbons of finite width. These findings not only add an experimentally feasible member to the quantum anomalous Hall insulator family, but also pave the way for highly promising application potentials in nanoelectronics and spintronics.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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