Abstract

A europium-encapsulating silicon nanotube, Eu2@Si30, has been predicted by density functional theory. Electronic structure analysis shows that in Si–Si chemical bonds there exist sp2-like hybridizations induced by the europium atoms, and the hybridizations evidently enhance the stability of the silicon nanotube. Moreover, the nanotube of Eu2@Si30, with D5h symmetry, retains a high spin moment of 10 μB. On the basis of the Eu2Si30Tube, a stable magnetic silicon nanotube (SiNT) was obtained, and it is found to be metallic. Similar to the predictions and speculation of Daedalus, the new magnetic SiNT may have potential applications in the fields of spintronics and high-density magnetic storage.

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