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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes
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Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes

机译:氟化氮化硼纳米管中的稳健半金属铁磁性和曲率相关的磁耦合

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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 mu(B) 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.
机译:通过基于Heyd-Scuseria-Ernzerhof混合函数的第一原理计算,发现氟化氮化硼(F-BN)纳米结构是完全自旋极化的,并且是半金属的。发现在F-BN纳米管中,全自旋极化和1 mu(B)局部矩与管半径无关,并且在平面带状和片状中也很牢固。局部矩之间的远距离铁磁耦合随着管半径的减小而减小。这表明,具有较小局部曲率的F-BN系统在实验中更容易观察到,并且在自旋器件中具有更大的潜在应用。

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