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J Chem Phys. 2010 Aug 28;133(8):084702. doi: 10.1063/1.3481484.

Multiple localized states and magnetic orderings in partially open zigzag carbon nanotube superlattices: an ab initio study.

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Department of Physics, Tsinghua University, Beijing 100084, People's Republic of China.


Using ab initio calculations, we examine the electronic and magnetic properties of partially open (unzipped) zigzag carbon nanotube (CNT) superlattices. It is found that depending on their opening degree, these superlattices can exhibit multiple localized states around the Fermi energy. More importantly, some electronic states confined in some parts of the structure even have special magnetic orderings. We demonstrate that, as a proof of principle, some partially open zigzag CNT superlattices are by themselves giant (100%) magnetoresistive devices. Furthermore, the localized (and spin-polarized) states as well as the band gaps of the superlattices could be further modulated by external electric fields perpendicular to the tube axis. We believe that these results will open the way to the production of novel nanoscale electronic and spintronic devices.

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