Ni填充碳纳米管中磁矩的双稳态、软化和淬灭
Bistability, softening, and quenching of magnetic moments in Ni-filled carbon nanotubes
摘要：
作者应用第一性原理计算来研究由填充有金属纳米线的窄纳米管组成的纳米结构的结构、电子和磁性之间的相互作用。重点是在径向压缩后的Ni填充的纳米管的结构和磁响应。有趣的是，亚稳态扁平结构被确定，其中径向变形的纳米管通过与封装的线的相互作用而稳定。此外，我们的研究结果表明，淬火的磁矩的线压缩时，作为一个结果的电荷转移从$s$的$d$轨道的原子线。
英文摘要：
The authors apply first-principles calculations to investigate the interplay between structural, electronic, and magnetic properties of nanostructures composed of narrow nanotubes filled with metallic nanowires. The focus is on the structural and magnetic responses of Ni-filled nanotubes upon radial compression. Interestingly, metastable flattened structures are identified, in which radially deformed nanotubes are stabilized by the interactions with the encapsulated wire. Moreover, our results indicate a quenching of the magnetic moment of the wire upon compression, as a result of the transfer of charge from the $s$ to the $d$ orbitals of the atoms in the wire.
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