基于两个单壁碳纳米管填充内富勒烯Fe@ C20的磁操作纳米继电器
Magnetically operated nanorelay based on two single-walled carbon nanotubes filled with endofullerenes Fe@C20
摘要：
用密度泛函理论计算了最小磁性富勒烯Fe@C20的结构和能量特性. Fe @ C_（20）的基态为七重态，其磁矩为8个玻尔磁子.在半经验方法的框架下，研究了内部含有单一Fe@C20的（8，8）碳纳米管的特性.阐述了一种基于磁性富勒烯填充悬臂纳米管的磁性纳米继电器的设计方案。所提出的纳米继电器是由于磁力弯曲纳米管而开启的。基于（8，8）和（21，21）完全填充Fe@C20的纳米管的这种纳米继电器的操作特性被估计并且与由实验观察到的（Ho 3 N）@C80完全填充的具有21个玻尔磁子的磁矩的（21，21）纳米管制成的纳米继电器的操作特性进行比较。示出了基于（21，21）纳米管的纳米继电器的室温操作。
英文摘要：
Structural and energy characteristics of the smallest magnetic endofullerene Fe@C20 have been calculated using the density functional theory approach. The ground state of Fe@C20 is found to be a septet state, and the magnetic moment of Fe@C20 is estimated to be 8 Bohr magnetons. Characteristics of an (8,8) carbon nanotube with a single Fe@C20 inside are studied in the framework of the semiempirical approach. The scheme of a magnetic nanorelay based on cantilevered nanotubes filled with magnetic endofullerenes is elaborated. The proposed nanorelay is turned on as a result of bending of nanotubes by a magnetic force. Operational characteristics of such a nanorelay based on (8,8) and (21,21) nanotubes fully filled with Fe@C20 are estimated and compared to the ones of a nanorelay made of a (21,21) nanotube fully filled with experimentally observed (Ho3N)@C80 with the magnetic moment of 21 Bohr magnetons. Room temperature operation of (21,21) nanotube based nanorelays is shown.
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