Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes

文献信息

发布日期 2016-04-04
DOI 10.1039/C6CP01477A
影响因子 3.676
作者

Chunsheng Guo, Yu Zhou, Xin-Qiang Shi, Li-Yong Gan, Hong Jiang


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摘要

The fluorinated boron nitride (F-BN) nanostructures are found to be fully spin polarized and half-metallic by means of first-principles calculations based on the Heyd–Scuseria–Ernzerhof hybrid functional. It is found that the full spin polarization and 1 μB local moment in F-BN nanotubes are independent of tube radius and it is also robust in planar ribbons and sheets. The long-ranged ferromagnetic coupling between local moments decreases with decreasing tube radius. This suggests that F-BN systems with small local curvatures could be more easily experimentally observed and have greater potential applications in spin devices.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

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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