2010/04/01 by N. A. Poklonski, Nikolai A. Poklonski, E. F. Kislyakov +8 · 16 citations
Chemistry · Materials Science · Physics and Astronomy · #Bohr model #Carbon Nanotubes in Composites #Carbon nanotube #Carbon nanotube quantum dot #Density functional theory #Fullerene Chemistry and Applications #Graphene research and applications #Magnetic moment #Mechanical properties of carbon nanotubes #Nanotube #Optical properties of carbon nanotubes #cond-mat.mes-hall
paper · pdf · doi:10.1117/1.3417104
published in Journal of Nanophotonics 4(1), 041675 (SPIE) · 18 pages, 9 figures
openalex publication_date 2010/04/01 · arxiv created 2010/04/24 · arxiv updated 2010/04/27 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Structural and energy characteristics of the smallest magnetic endofullerene Fe@C<sub>20</sub> have been calculated using the density functional theory approach. The ground state of Fe@C<sub>20</sub> is found to be a septet state, and the magnetic moment of Fe@C<sub>20</sub> is estimated to be 8 Bohr magnetons. Characteristics of an (8,8) carbon nanotube with a single Fe@C<sub>20</sub> 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@C<sub>20</sub> are estimated and compared to the ones of a nanorelay made of a (21,21) nanotube fully filled with experimentally observed (Ho3N)@C<sub>80</sub> with the magnetic moment of 21 Bohr magnetons. Room temperature operation of (21,21) nanotube based nanorelays is shown.