Magnetic and electronic calculations of single-wall carbon nanotubes filled with TM on metal surfaces
David, Melanie; Kishi, Tomoya; Dino, Wilson Agerico; Nakanishi, Hiroshi; Kasai, Hideaki
Japan

The emergence of novel magnetic and electronic properties of different nanostructures has attracted much attention including magnetic nanowires on thin films and single-walled carbon nanotubes (SWNT) due to their potential applications in nanospintronics devices. With the advent of nanotechnologies, novel properties can be added to SWNTs by associating them with other materials such as transition metals. SWNTs filled with ferromagnets demonstrate very high potential in providing the required magnetic properties, low dimensionality, and small volume which make them very useful for future nanoscale devices. Moreover, Fe nanowires are protected from oxidation and the structure stabilizes when placed inside SWNTs. The original metallic characteristics of the SWNT is changed into a semiconductor when Fe nanowire is placed inside (3, 3) SWNT [1]. SWNTs can transform their structure from tube into arch when placed on the Ni (111) and Cu (111) [2-5]. The stable structure and magnetic moment of Fe-filled SWNT placed on these metal surfaces strongly depend on the position of the Fe atom in the SWNT. We would like to extend our study for different 3d transition metals. In this meeting, we present our investigations on SWNT filled with transition metal (Fe, Mn, Cr) filled on metal surfaces (Ni, Cu) using the density functional theory. We discuss the optimized structures and the electrical and magnetic properties of these metal nanowires inside SWNT.
References:
[1] M. Kisaku et al., Jpn. J. Appl. Phys. 44 (2005) 882.
[2] M. David et al., e-J. Surf. Sci. Nanotech. 3 (2005) 266.
[3] M. David et al., Jpn. J. Appl. Phys. 45 (2006) 2869.
[4] M. David, et al: Journal of Magnetism and Magnetic Materials (in press)
[5] M. David, et al: Proceedings of the European Conference On Surface Science (in press)
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